#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/08/4000803.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4000803
loop_
_publ_author_name
'Meng, Chang-Yu'
'Chen, Hong'
'Wang, Peng'
'Chen, Ling'
_publ_section_title
;
 Syntheses, Structures, and Magnetic and Thermoelectric Properties of
 Double-Tunnel Tellurides: AxRE2Cu6--xTe6(A = K--Cs; RE = La--Nd)
;
_journal_issue                   22
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4910
_journal_paper_doi               10.1021/cm201574a
_journal_volume                  23
_journal_year                    2011
_chemical_formula_moiety         'Cs0.24 Cu1.76 Pr0.67 Te2'
_chemical_formula_sum            'Cs0.24 Cu1.76 Pr0.67 Te2'
_chemical_formula_weight         493.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.0763(8)
_cell_length_b                   10.0763(8)
_cell_length_c                   4.1702(5)
_cell_measurement_reflns_used    426
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4719
_cell_measurement_theta_min      2.3527
_cell_volume                     366.68(6)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  SCXMini
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            2850
_diffrn_reflns_theta_full        27.32
_diffrn_reflns_theta_max         27.32
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    27.439
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6150
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    6.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             623
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.535
_refine_diff_density_min         -1.627
_refine_diff_density_rms         0.188
_refine_ls_extinction_coef       0.0039(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.201
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         315
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.447
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0183
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0139P)²+2.3688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0408
_refine_ls_wR_factor_ref         0.0412
_reflns_number_gt                311
_reflns_number_total             315
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm201574a_si_001.cif
_cod_data_source_block           Cs0.73Pr2Cu5.27Te6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               4000803
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cs1 Cs 0.0000 0.0000 0.2500 0.057(4) Uani 0.231(10) 6 d SPU
Cs2 Cs 0.0000 0.0000 0.0000 0.055(5) Uani 0.135(10) 6 d SPU
Pr Pr 0.6667 0.3333 0.2500 0.0141(2) Uani 1 6 d S
Cu Cu 0.03393(13) 0.43339(14) 0.2500 0.0201(3) Uani 0.8780(18) 2 d SPU
Te Te 0.27416(6) 0.39543(6) 0.2500 0.0160(2) Uani 1 2 d SU
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cs2 Cs1 Cs2 180.0 4 .
Cs2 Cs1 Cs1 0.0 4 7_556
Cs2 Cs1 Cs1 180.0 . 7_556
Cs2 Cs1 Cs1 180.0 4 7
Cs2 Cs1 Cs1 0.0 . 7
Cs1 Cs1 Cs1 180.0 7_556 7
Cs2 Cs1 Cs2 180.0 4 4_554
Cs2 Cs1 Cs2 0.0 . 4_554
Cs1 Cs1 Cs2 180.0 7_556 4_554
Cs1 Cs1 Cs2 0.0 7 4_554
Cs2 Cs1 Cs2 0.0 4 1_556
Cs2 Cs1 Cs2 180.0 . 1_556
Cs1 Cs1 Cs2 0.0 7_556 1_556
Cs1 Cs1 Cs2 180.0 7 1_556
Cs2 Cs1 Cs2 180.0 4_554 1_556
Cs2 Cs1 Te 90.0 4 .
Cs2 Cs1 Te 90.0 . .
Cs1 Cs1 Te 90.0 7_556 .
Cs1 Cs1 Te 90.0 7 .
Cs2 Cs1 Te 90.0 4_554 .
Cs2 Cs1 Te 90.0 1_556 .
Cs2 Cs1 Te 90.0 4 2
Cs2 Cs1 Te 90.0 . 2
Cs1 Cs1 Te 90.0 7_556 2
Cs1 Cs1 Te 90.0 7 2
Cs2 Cs1 Te 90.0 4_554 2
Cs2 Cs1 Te 90.0 1_556 2
Te Cs1 Te 120.0 . 2
Cs2 Cs1 Te 90.0 4 3
Cs2 Cs1 Te 90.0 . 3
Cs1 Cs1 Te 90.0 7_556 3
Cs1 Cs1 Te 90.0 7 3
Cs2 Cs1 Te 90.0 4_554 3
Cs2 Cs1 Te 90.0 1_556 3
Te Cs1 Te 120.0 . 3
Te Cs1 Te 120.0 2 3
Cs2 Cs1 Te 120.530(5) 4 7
Cs2 Cs1 Te 59.470(5) . 7
Cs1 Cs1 Te 120.530(5) 7_556 7
Cs1 Cs1 Te 59.470(5) 7 7
Cs2 Cs1 Te 59.470(5) 4_554 7
Cs2 Cs1 Te 120.530(5) 1_556 7
Te Cs1 Te 149.470(5) . 7
Te Cs1 Te 64.489(1) 2 7
Te Cs1 Te 64.489(1) 3 7
Cs2 Cs1 Te 59.470(5) 4 8_556
Cs2 Cs1 Te 120.530(5) . 8_556
Cs1 Cs1 Te 59.470(5) 7_556 8_556
Cs1 Cs1 Te 120.530(5) 7 8_556
Cs2 Cs1 Te 120.530(5) 4_554 8_556
Cs2 Cs1 Te 59.470(5) 1_556 8_556
Te Cs1 Te 64.489(2) . 8_556
Te Cs1 Te 149.470(5) 2 8_556
Te Cs1 Te 64.489(2) 3 8_556
Te Cs1 Te 128.978(3) 7 8_556
Cs2 Cs1 Te 59.470(5) 4 9_556
Cs2 Cs1 Te 120.530(5) . 9_556
Cs1 Cs1 Te 59.470(5) 7_556 9_556
Cs1 Cs1 Te 120.530(5) 7 9_556
Cs2 Cs1 Te 120.530(5) 4_554 9_556
Cs2 Cs1 Te 59.470(5) 1_556 9_556
Te Cs1 Te 64.489(2) . 9_556
Te Cs1 Te 64.489(2) 2 9_556
Te Cs1 Te 149.470(5) 3 9_556
Te Cs1 Te 128.978(3) 7 9_556
Te Cs1 Te 96.484(7) 8_556 9_556
Cs1 Cs2 Cs1 180.0 7 .
Cs1 Cs2 Cs2 180.0 7 4
Cs1 Cs2 Cs2 0.0 . 4
Cs1 Cs2 Cs2 0.0 7 4_554
Cs1 Cs2 Cs2 180.0 . 4_554
Cs2 Cs2 Cs2 180.0 4 4_554
Cs1 Cs2 Cs1 0.0 7 1_554
Cs1 Cs2 Cs1 180.0 . 1_554
Cs2 Cs2 Cs1 180.0 4 1_554
Cs2 Cs2 Cs1 0.0 4_554 1_554
Cs1 Cs2 Cs1 180.0 7 7_556
Cs1 Cs2 Cs1 0.0 . 7_556
Cs2 Cs2 Cs1 0.0 4 7_556
Cs2 Cs2 Cs1 180.0 4_554 7_556
Cs1 Cs2 Cs1 180.0 1_554 7_556
Cs1 Cs2 Te 106.429(3) 7 .
Cs1 Cs2 Te 73.571(3) . .
Cs2 Cs2 Te 73.571(3) 4 .
Cs2 Cs2 Te 106.429(3) 4_554 .
Cs1 Cs2 Te 106.429(3) 1_554 .
Cs1 Cs2 Te 73.571(3) 7_556 .
Cs1 Cs2 Te 73.571(3) 7 7
Cs1 Cs2 Te 106.429(3) . 7
Cs2 Cs2 Te 106.429(3) 4 7
Cs2 Cs2 Te 73.571(3) 4_554 7
Cs1 Cs2 Te 73.571(3) 1_554 7
Cs1 Cs2 Te 106.429(3) 7_556 7
Te Cs2 Te 180.000(14) . 7
Cs1 Cs2 Te 106.429(3) 7 3
Cs1 Cs2 Te 73.571(3) . 3
Cs2 Cs2 Te 73.571(3) 4 3
Cs2 Cs2 Te 106.429(3) 4_554 3
Cs1 Cs2 Te 106.429(3) 1_554 3
Cs1 Cs2 Te 73.571(3) 7_556 3
Te Cs2 Te 112.334(3) . 3
Te Cs2 Te 67.666(3) 7 3
Cs1 Cs2 Te 73.571(3) 7 8
Cs1 Cs2 Te 106.429(3) . 8
Cs2 Cs2 Te 106.429(3) 4 8
Cs2 Cs2 Te 73.571(3) 4_554 8
Cs1 Cs2 Te 73.571(3) 1_554 8
Cs1 Cs2 Te 106.429(3) 7_556 8
Te Cs2 Te 67.666(3) . 8
Te Cs2 Te 112.334(3) 7 8
Te Cs2 Te 67.666(3) 3 8
Cs1 Cs2 Te 73.571(3) 7 9
Cs1 Cs2 Te 106.429(3) . 9
Cs2 Cs2 Te 106.429(3) 4 9
Cs2 Cs2 Te 73.571(3) 4_554 9
Cs1 Cs2 Te 73.571(3) 1_554 9
Cs1 Cs2 Te 106.429(3) 7_556 9
Te Cs2 Te 67.666(3) . 9
Te Cs2 Te 112.334(3) 7 9
Te Cs2 Te 180.000(13) 3 9
Te Cs2 Te 112.334(3) 8 9
Cs1 Cs2 Te 106.429(3) 7 2
Cs1 Cs2 Te 73.571(3) . 2
Cs2 Cs2 Te 73.571(3) 4 2
Cs2 Cs2 Te 106.429(3) 4_554 2
Cs1 Cs2 Te 106.429(3) 1_554 2
Cs1 Cs2 Te 73.571(3) 7_556 2
Te Cs2 Te 112.334(3) . 2
Te Cs2 Te 67.666(3) 7 2
Te Cs2 Te 112.334(3) 3 2
Te Cs2 Te 180.000(8) 8 2
Te Cs2 Te 67.666(3) 9 2
Te Pr Te 79.906(15) 9_656 9_655
Te Pr Te 134.925(5) 9_656 8
Te Pr Te 83.191(11) 9_655 8
Te Pr Te 83.191(11) 9_656 8_556
Te Pr Te 134.925(5) 9_655 8_556
Te Pr Te 79.906(15) 8 8_556
Te Pr Te 83.191(11) 9_656 7_666
Te Pr Te 134.925(5) 9_655 7_666
Te Pr Te 134.925(5) 8 7_666
Te Pr Te 83.191(11) 8_556 7_666
Te Pr Te 134.925(5) 9_656 7_665
Te Pr Te 83.191(11) 9_655 7_665
Te Pr Te 83.191(11) 8 7_665
Te Pr Te 134.925(5) 8_556 7_665
Te Pr Te 79.906(15) 7_666 7_665
Te Pr Cu 47.041(13) 9_656 1_655
Te Pr Cu 47.041(13) 9_655 1_655
Te Pr Cu 130.146(14) 8 1_655
Te Pr Cu 130.146(14) 8_556 1_655
Te Pr Cu 92.106(19) 7_666 1_655
Te Pr Cu 92.106(19) 7_665 1_655
Te Pr Cu 92.106(19) 9_656 3
Te Pr Cu 92.106(19) 9_655 3
Te Pr Cu 47.041(13) 8 3
Te Pr Cu 47.041(13) 8_556 3
Te Pr Cu 130.146(14) 7_666 3
Te Pr Cu 130.146(14) 7_665 3
Cu Pr Cu 120.0 1_655 3
Te Pr Cu 130.146(14) 9_656 2_665
Te Pr Cu 130.146(14) 9_655 2_665
Te Pr Cu 92.106(19) 8 2_665
Te Pr Cu 92.106(19) 8_556 2_665
Te Pr Cu 47.041(13) 7_666 2_665
Te Pr Cu 47.041(13) 7_665 2_665
Cu Pr Cu 120.0 1_655 2_665
Cu Pr Cu 120.0 3 2_665
Te Pr Cu 94.859(19) 9_656 9_655
Te Pr Cu 46.20(2) 9_655 9_655
Te Pr Cu 45.96(2) 8 9_655
Te Pr Cu 94.687(19) 8_556 9_655
Te Pr Cu 177.264(13) 7_666 9_655
Te Pr Cu 102.827(16) 7_665 9_655
Cu Pr Cu 87.94(4) 1_655 9_655
Cu Pr Cu 47.86(3) 3 9_655
Cu Pr Cu 134.98(3) 2_665 9_655
Te Pr Cu 46.20(2) 9_656 9_656
Te Pr Cu 94.859(19) 9_655 9_656
Te Pr Cu 94.687(19) 8 9_656
Te Pr Cu 45.96(2) 8_556 9_656
Te Pr Cu 102.827(16) 7_666 9_656
Te Pr Cu 177.264(13) 7_665 9_656
Cu Pr Cu 87.94(4) 1_655 9_656
Cu Pr Cu 47.86(3) 3 9_656
Cu Pr Cu 134.98(3) 2_665 9_656
Cu Pr Cu 74.44(2) 9_655 9_656
Te Pr Cu 45.96(2) 9_656 7_666
Te Pr Cu 94.688(19) 9_655 7_666
Te Pr Cu 177.264(13) 8 7_666
Te Pr Cu 102.827(16) 8_556 7_666
Te Pr Cu 46.20(2) 7_666 7_666
Te Pr Cu 94.859(19) 7_665 7_666
Cu Pr Cu 47.86(3) 1_655 7_666
Cu Pr Cu 134.98(3) 3 7_666
Cu Pr Cu 87.94(4) 2_665 7_666
Cu Pr Cu 133.074(8) 9_655 7_666
Cu Pr Cu 87.202(18) 9_656 7_666
Te Cu Te 105.53(5) 9 9_556
Te Cu Te 116.81(3) 9 3_565
Te Cu Te 116.81(3) 9_556 3_565
Te Cu Te 102.81(4) 9 .
Te Cu Te 102.81(4) 9_556 .
Te Cu Te 110.32(5) 3_565 .
Te Cu Cu 133.31(7) 9 7_566
Te Cu Cu 58.42(3) 9_556 7_566
Te Cu Cu 58.38(4) 3_565 7_566
Te Cu Cu 122.89(5) . 7_566
Te Cu Cu 58.42(3) 9 7_565
Te Cu Cu 133.31(7) 9_556 7_565
Te Cu Cu 58.38(4) 3_565 7_565
Te Cu Cu 122.89(5) . 7_565
Cu Cu Cu 98.86(8) 7_566 7_565
Te Cu Pr 65.14(3) 9 1_455
Te Cu Pr 65.14(3) 9_556 1_455
Te Cu Pr 92.19(4) 3_565 1_455
Te Cu Pr 157.49(5) . 1_455
Cu Cu Pr 68.62(5) 7_566 1_455
Cu Cu Pr 68.62(5) 7_565 1_455
Te Cu Pr 161.86(4) 9 7_666
Te Cu Pr 89.261(15) 9_556 7_666
Te Cu Pr 62.99(2) 3_565 7_666
Te Cu Pr 62.89(2) . 7_666
Cu Cu Pr 63.52(4) 7_566 7_666
Cu Cu Pr 118.24(6) 7_565 7_666
Pr Cu Pr 132.14(3) 1_455 7_666
Te Cu Pr 89.261(15) 9 7_665
Te Cu Pr 161.86(4) 9_556 7_665
Te Cu Pr 62.99(2) 3_565 7_665
Te Cu Pr 62.89(2) . 7_665
Cu Cu Pr 118.24(6) 7_566 7_665
Cu Cu Pr 63.52(4) 7_565 7_665
Pr Cu Pr 132.14(3) 1_455 7_665
Pr Cu Pr 74.44(2) 7_666 7_665
Te Cu Cs1 69.53(3) 9 .
Te Cu Cs1 69.53(3) 9_556 .
Te Cu Cs1 167.12(4) 3_565 .
Te Cu Cs1 56.81(3) . .
Cu Cu Cs1 126.64(4) 7_566 .
Cu Cu Cs1 126.64(4) 7_565 .
Pr Cu Cs1 100.69(3) 1_455 .
Pr Cu Cs1 107.28(3) 7_666 .
Pr Cu Cs1 107.28(3) 7_665 .
Te Cu Cs2 57.93(3) 9 .
Te Cu Cs2 81.49(3) 9_556 .
Te Cu Cs2 161.12(3) 3_565 .
Te Cu Cs2 57.90(3) . .
Cu Cu Cs2 139.65(5) 7_566 .
Cu Cu Cs2 113.36(4) 7_565 .
Pr Cu Cs2 100.37(3) 1_455 .
Pr Cu Cs2 115.71(3) 7_666 .
Pr Cu Cs2 98.21(2) 7_665 .
Cs1 Cu Cs2 13.920(4) . .
Te Cu Cs2 81.49(3) 9 4
Te Cu Cs2 57.93(3) 9_556 4
Te Cu Cs2 161.12(3) 3_565 4
Te Cu Cs2 57.90(3) . 4
Cu Cu Cs2 113.36(4) 7_566 4
Cu Cu Cs2 139.65(5) 7_565 4
Pr Cu Cs2 100.37(3) 1_455 4
Pr Cu Cs2 98.21(2) 7_666 4
Pr Cu Cs2 115.71(3) 7_665 4
Cs1 Cu Cs2 13.920(4) . 4
Cs2 Cu Cs2 27.840(9) . 4
Cu Te Cu 105.53(5) 8_556 8
Cu Te Cu 63.19(3) 8_556 2_665
Cu Te Cu 63.19(3) 8 2_665
Cu Te Cu 126.76(2) 8_556 .
Cu Te Cu 126.76(2) 8 .
Cu Te Cu 129.68(5) 2_665 .
Cu Te Pr 67.82(3) 8_556 7_666
Cu Te Pr 130.16(3) 8 7_666
Cu Te Pr 71.05(2) 2_665 7_666
Cu Te Pr 70.91(2) . 7_666
Cu Te Pr 130.16(3) 8_556 7_665
Cu Te Pr 67.82(3) 8 7_665
Cu Te Pr 71.05(2) 2_665 7_665
Cu Te Pr 70.91(2) . 7_665
Pr Te Pr 79.906(15) 7_666 7_665
Cu Te Cs1 98.33(3) 8_556 .
Cu Te Cs1 98.33(3) 8 .
Cu Te Cs1 145.67(3) 2_665 .
Cu Te Cs1 84.65(3) . .
Pr Te Cs1 131.282(10) 7_666 .
Pr Te Cs1 131.282(11) 7_665 .
Cu Te Cs2 111.36(3) 8_556 .
Cu Te Cs2 85.05(3) 8 .
Cu Te Cs2 142.38(3) 2_665 .
Cu Te Cs2 84.87(3) . .
Pr Te Cs2 144.533(13) 7_666 .
Pr Te Cs2 116.821(9) 7_665 .
Cs1 Te Cs2 16.429(3) . .
Cu Te Cs2 85.05(3) 8_556 4
Cu Te Cs2 111.36(3) 8 4
Cu Te Cs2 142.38(3) 2_665 4
Cu Te Cs2 84.87(3) . 4
Pr Te Cs2 116.821(9) 7_666 4
Pr Te Cs2 144.533(13) 7_665 4
Cs1 Te Cs2 16.429(3) . 4
Cs2 Te Cs2 32.859(7) . 4
Cu Te Cs1 121.96(3) 8_556 7
Cu Te Cs1 73.76(3) 8 7
Cu Te Cs1 135.34(2) 2_665 7
Cu Te Cs1 85.39(3) . 7
Pr Te Cs1 153.445(15) 7_666 7
Pr Te Cs1 104.010(8) 7_665 7
Cs1 Te Cs1 30.530(5) . 7
Cs2 Te Cs1 14.100(2) . 7
Cs2 Te Cs1 46.959(9) 4 7
Cu Te Cs1 73.76(3) 8_556 7_556
Cu Te Cs1 121.96(3) 8 7_556
Cu Te Cs1 135.34(2) 2_665 7_556
Cu Te Cs1 85.39(3) . 7_556
Pr Te Cs1 104.010(8) 7_666 7_556
Pr Te Cs1 153.445(15) 7_665 7_556
Cs1 Te Cs1 30.530(5) . 7_556
Cs2 Te Cs1 46.959(9) . 7_556
Cs2 Te Cs1 14.100(2) 4 7_556
Cs1 Te Cs1 61.060(11) 7 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr Te 3.2470(5) 9_656
Pr Te 3.2470(5) 9_655
Pr Te 3.2470(5) 8
Pr Te 3.2470(5) 8_556
Pr Te 3.2470(5) 7_666
Pr Te 3.2470(5) 7_665
Pr Cu 3.3136(12) 1_655
Pr Cu 3.3136(12) 3
Pr Cu 3.3136(12) 2_665
Pr Cu 3.4472(10) 9_655
Pr Cu 3.4472(10) 9_656
Pr Cu 3.4472(10) 7_666
Cu Te 2.6189(8) 9
Cu Te 2.6189(8) 9_556
Cu Te 2.6201(13) 3_565
Cu Te 2.6328(13) .
Cu Cu 2.7449(16) 7_566
Cu Cu 2.7449(16) 7_565
Cu Pr 3.3136(12) 1_455
Cu Pr 3.4472(10) 7_666
Cu Pr 3.4472(10) 7_665
Te Cu 2.6189(8) 8_556
Te Cu 2.6189(8) 8
Te Cu 2.6201(13) 2_665
Te Pr 3.2470(5) 7_666
Te Pr 3.2470(5) 7_665
