#------------------------------------------------------------------------------
#$Date: 2019-11-23 09:27:46 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232718 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/53/7235364.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_7235364
loop_
_publ_author_name
'Kyprianidou, Eleni J.'
'Lazarides, Theodore'
'Kaziannis, Spyridon'
'Kosmidis, Constantine'
'Itskos, Grigorios'
'Manos, Manolis J.'
'Tasiopoulos, Anastasios J.'
_publ_section_title
;
 Single crystal coordinating solvent exchange as a general method for the
 enhancement of the photoluminescence properties of lanthanide MOFs
;
_journal_issue                   15
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              5258
_journal_paper_doi               10.1039/c3ta14489e
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'C38 H22 Eu2 N5 O14, 2(C3 H3.50 N0.50 O0.50)'
_chemical_formula_sum            'C44 H29 Eu2 N6 O15'
_chemical_formula_weight         1185.65
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.322(8)
_cell_angle_beta                 98.730(8)
_cell_angle_gamma                103.042(9)
_cell_formula_units_Z            1
_cell_length_a                   10.3912(11)
_cell_length_b                   11.3371(11)
_cell_length_c                   12.8168(12)
_cell_measurement_reflns_used    3493
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.9783
_cell_measurement_theta_min      3.2138
_cell_volume                     1373.8(3)
_computing_cell_refinement       'CrysAlis RED'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics
;
 DIAMOND (Brandenburg, 2006)
 MERCURY (Bruno et al. 2002)
;
_computing_publication_material  'WINGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4223
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9445
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    2.324
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Empirical absorption correction (CrysAlis RED, Oxford Diffraction)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedral
_exptl_crystal_F_000             581
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.093
_refine_diff_density_min         -1.914
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4816
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0575
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1129P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1669
_refine_ls_wR_factor_ref         0.1742
_reflns_number_gt                4126
_reflns_number_total             4816
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ta14489e2.cif
_cod_data_source_block           EuN-BDC-m2hmp
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1373.8(2)
_cod_database_code               7235364
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Eu01 Eu 0.47839(4) 0.44500(3) 0.33609(3) 0.0357(2) Uani 1 1 d .
C1 C 0.4889(9) 0.2279(8) 0.1663(7) 0.0399(18) Uani 1 1 d .
C2 C 0.4944(9) 0.1092(8) 0.0799(7) 0.0414(19) Uani 1 1 d .
C3 C 0.3813(10) 0.0369(10) -0.0040(8) 0.057(2) Uani 1 1 d .
H3 H 0.3011 0.0606 -0.0063 0.069 Uiso 1 1 calc R
C4 C 0.6128(9) 0.0719(10) 0.0855(8) 0.057(3) Uani 1 1 d .
C5 C 0.2387(8) 0.4536(7) 0.4281(7) 0.0402(19) Uani 1 1 d .
C6 C 0.1141(8) 0.4773(8) 0.4639(7) 0.0425(19) Uani 1 1 d .
C7 C -0.0129(9) 0.4251(9) 0.3887(7) 0.048(2) Uani 1 1 d .
C8 C 0.1260(9) 0.5543(9) 0.5738(7) 0.049(2) Uani 1 1 d .
H8 H 0.2113 0.5920 0.6220 0.059 Uiso 1 1 calc R
C9 C 0.4961(9) 0.2544(8) 0.4979(7) 0.0429(19) Uani 1 1 d .
C10 C 0.4962(9) 0.1223(8) 0.4983(7) 0.046(2) Uani 1 1 d .
C11 C 0.5453(10) 0.1019(8) 0.5986(7) 0.049(2) Uani 1 1 d .
H11 H 0.5758 0.1709 0.6648 0.059 Uiso 1 1 calc R
C12 C 0.4512(11) 0.0169(9) 0.3996(8) 0.053(2) Uani 1 1 d .
C13 C 0.6353(11) 0.6622(11) 0.2264(9) 0.072(3) Uani 1 1 d DU
H13A H 0.7023 0.6705 0.1817 0.087 Uiso 1 1 calc R
H13B H 0.6428 0.7471 0.2755 0.087 Uiso 1 1 calc R
C14 C 0.4965(11) 0.6069(10) 0.1508(9) 0.070(3) Uani 1 1 d DU
C15 C 0.4584(15) 0.6545(12) 0.0631(11) 0.097(3) Uani 1 1 d DU
C16 C 0.3332(15) 0.6035(13) -0.0029(11) 0.097(4) Uani 1 1 d DU
H16 H 0.3094 0.6345 -0.0608 0.117 Uiso 1 1 calc R
C17 C 0.2392(14) 0.5070(12) 0.0120(10) 0.091(3) Uani 1 1 d DU
H17 H 0.1517 0.4723 -0.0329 0.109 Uiso 1 1 calc R
C18 C 0.2855(12) 0.4632(10) 0.1026(8) 0.072(3) Uani 1 1 d DU
H18 H 0.2254 0.3970 0.1151 0.087 Uiso 1 1 calc R
C19 C 0.540(2) 0.7580(15) 0.0287(19) 0.195(7) Uani 1 1 d DU
H19A H 0.6262 0.7974 0.0806 0.292 Uiso 1 1 calc R
H19B H 0.4919 0.8212 0.0282 0.292 Uiso 1 1 calc R
H19C H 0.5528 0.7216 -0.0447 0.292 Uiso 1 1 calc R
C20 C 0.888(3) 0.8301(18) 0.5319(14) 0.080(4) Uani 0.50 1 d PDU
H20 H 0.8022 0.8237 0.5456 0.096 Uiso 0.50 1 calc PR
C21 C 0.979(2) 0.901(2) 0.603(2) 0.097(5) Uani 0.50 1 d PDU
H21 H 0.9683 0.9495 0.6705 0.116 Uiso 0.50 1 calc PR
C22 C 1.106(2) 0.907(2) 0.578(2) 0.095(5) Uani 0.50 1 d PDU
H22 H 1.1806 0.9630 0.6333 0.114 Uiso 0.50 1 calc PR
C23 C 1.133(2) 0.838(2) 0.4795(17) 0.094(4) Uani 0.50 1 d PDU
H23 H 1.2198 0.8458 0.4671 0.113 Uiso 0.50 1 calc PR
C24 C 1.0157(17) 0.7570(19) 0.4014(17) 0.093(4) Uani 0.50 1 d PDU
C25 C 1.006(3) 0.664(2) 0.2889(17) 0.106(5) Uani 0.50 1 d PDU
H25A H 1.0888 0.6384 0.2872 0.128 Uiso 0.50 1 calc PR
H25B H 0.9302 0.5887 0.2708 0.128 Uiso 0.50 1 calc PR
N1 N 0.712(4) 0.108(4) 0.171(3) 0.158(12) Uani 0.50 1 d PU
N2 N -0.0322(16) 0.3535(18) 0.2785(14) 0.063(4) Uani 0.50 1 d PU
N3 N 0.382(2) 0.024(2) 0.2963(18) 0.082(6) Uani 0.50 1 d PU
N4 N 0.4083(8) 0.5118(7) 0.1683(6) 0.0552(18) Uani 1 1 d DU
N5 N 0.8965(16) 0.7565(15) 0.4315(14) 0.067(3) Uani 0.50 1 d PDU
O1 O 0.3746(6) 0.2464(5) 0.1744(5) 0.0472(14) Uani 1 1 d .
O2 O 0.5965(6) 0.3066(5) 0.2287(5) 0.0467(14) Uani 1 1 d .
O3 O 0.2376(6) 0.4110(6) 0.3261(5) 0.0488(14) Uani 1 1 d .
O4 O 0.6535(5) 0.5212(5) 0.4977(5) 0.0413(13) Uani 1 1 d .
O5 O 0.4601(6) 0.2710(5) 0.4070(5) 0.0463(14) Uani 1 1 d .
O6 O 0.4673(6) 0.6593(5) 0.4083(5) 0.0454(14) Uani 1 1 d .
O7 O 0.6623(7) 0.5887(6) 0.2885(6) 0.0585(17) Uani 1 1 d .
O8 O 0.987(3) 0.733(3) 0.211(2) 0.139(6) Uani 0.50 1 d PDU
H8A H 0.9084 0.7051 0.1741 0.209 Uiso 0.50 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
O4 Eu01 O6 80.0(2) . .
O4 Eu01 O5 75.2(2) . .
O6 Eu01 O5 134.18(19) . .
O4 Eu01 O3 127.16(19) . .
O6 Eu01 O3 78.7(2) . .
O5 Eu01 O3 86.4(2) . .
O4 Eu01 O2 93.24(19) . .
O6 Eu01 O2 145.0(2) . .
O5 Eu01 O2 74.9(2) . .
O3 Eu01 O2 129.38(19) . .
O4 Eu01 O1 138.42(19) . .
O6 Eu01 O1 141.5(2) . .
O5 Eu01 O1 73.2(2) . .
O3 Eu01 O1 76.95(19) . .
O2 Eu01 O1 52.77(19) . .
O4 Eu01 O7 76.6(2) . .
O6 Eu01 O7 71.5(2) . .
O5 Eu01 O7 135.9(2) . .
O3 Eu01 O7 137.6(2) . .
O2 Eu01 O7 73.6(2) . .
O1 Eu01 O7 109.3(2) . .
O4 Eu01 N4 137.7(2) . .
O6 Eu01 N4 73.7(2) . .
O5 Eu01 N4 145.3(2) . .
O3 Eu01 N4 79.4(2) . .
O2 Eu01 N4 90.0(2) . .
O1 Eu01 N4 72.9(2) . .
O7 Eu01 N4 64.0(3) . .
O4 Eu01 O4 76.58(18) . 2_666
O6 Eu01 O4 67.01(18) . 2_666
O5 Eu01 O4 70.05(18) . 2_666
O3 Eu01 O4 50.59(19) . 2_666
O2 Eu01 O4 144.9(2) . 2_666
O1 Eu01 O4 115.95(18) . 2_666
O7 Eu01 O4 133.6(2) . 2_666
N4 Eu01 O4 120.2(2) . 2_666
O4 Eu01 C1 116.1(2) . .
O6 Eu01 C1 154.2(2) . .
O5 Eu01 C1 71.4(2) . .
O3 Eu01 C1 103.3(2) . .
O2 Eu01 C1 26.2(2) . .
O1 Eu01 C1 26.6(2) . .
O7 Eu01 C1 91.9(2) . .
N4 Eu01 C1 81.3(2) . .
O4 Eu01 C1 134.0(2) 2_666 .
O4 Eu01 C5 102.2(2) . .
O6 Eu01 C5 68.7(2) . .
O5 Eu01 C5 79.6(2) . .
O3 Eu01 C5 25.0(2) . .
O2 Eu01 C5 145.6(2) . .
O1 Eu01 C5 98.0(2) . .
O7 Eu01 C5 139.7(2) . .
N4 Eu01 C5 98.4(2) . .
O4 Eu01 C5 25.8(2) 2_666 .
C1 Eu01 C5 122.4(2) . .
O4 Eu01 Eu01 41.39(12) . 2_666
O6 Eu01 Eu01 68.37(14) . 2_666
O5 Eu01 Eu01 67.49(14) . 2_666
O3 Eu01 Eu01 85.78(14) . 2_666
O2 Eu01 Eu01 126.13(15) . 2_666
O1 Eu01 Eu01 137.79(15) . 2_666
O7 Eu01 Eu01 109.36(17) . 2_666
N4 Eu01 Eu01 141.30(15) . 2_666
O4 Eu01 Eu01 35.19(12) 2_666 2_666
C1 Eu01 Eu01 137.18(17) . 2_666
C5 Eu01 Eu01 60.85(17) . 2_666
O2 C1 O1 121.2(7) . .
O2 C1 C2 119.8(7) . .
O1 C1 C2 119.1(7) . .
O2 C1 Eu01 60.1(4) . .
O1 C1 Eu01 61.1(4) . .
C2 C1 Eu01 177.3(6) . .
C3 C2 C4 120.2(8) . .
C3 C2 C1 119.9(8) . .
C4 C2 C1 120.0(8) . .
C2 C3 C4 119.9(8) . 2_655
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 2_655 .
N1 C4 C2 126.8(19) . .
N1 C4 C3 111.3(19) . 2_655
C2 C4 C3 119.9(8) . 2_655
O3 C5 O4 120.5(7) . 2_666
O3 C5 C6 120.4(8) . .
O4 C5 C6 119.0(7) 2_666 .
O3 C5 Eu01 54.6(4) . .
O4 C5 Eu01 66.8(4) 2_666 .
C6 C5 Eu01 168.6(6) . .
C8 C6 C7 120.2(7) . .
C8 C6 C5 119.1(7) . .
C7 C6 C5 120.7(7) . .
N2 C7 C8 117.4(10) . 2_566
N2 C7 C6 123.7(9) . .
C8 C7 C6 118.9(8) 2_566 .
C6 C8 C7 120.9(8) . 2_566
C6 C8 H8 119.6 . .
C7 C8 H8 119.6 2_566 .
O5 C9 O6 125.0(8) . 2_666
O5 C9 C10 118.9(7) . .
O6 C9 C10 116.0(8) 2_666 .
C11 C10 C12 118.3(8) . .
C11 C10 C9 120.3(8) . .
C12 C10 C9 121.4(8) . .
C12 C11 C10 121.2(8) 2_656 .
C12 C11 H11 119.4 2_656 .
C10 C11 H11 119.4 . .
C11 C12 C10 120.5(8) 2_656 .
C11 C12 N3 116.6(12) 2_656 .
C10 C12 N3 122.2(12) . .
O7 C13 C14 112.0(9) . .
O7 C13 H13A 109.2 . .
C14 C13 H13A 109.2 . .
O7 C13 H13B 109.2 . .
C14 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
N4 C14 C15 120.7(11) . .
N4 C14 C13 118.5(11) . .
C15 C14 C13 120.8(11) . .
C16 C15 C14 119.5(13) . .
C16 C15 C19 111.0(16) . .
C14 C15 C19 129.5(16) . .
C17 C16 C15 122.1(14) . .
C17 C16 H16 119.0 . .
C15 C16 H16 119.0 . .
C16 C17 C18 115.3(13) . .
C16 C17 H17 122.4 . .
C18 C17 H17 122.4 . .
N4 C18 C17 123.6(12) . .
N4 C18 H18 118.2 . .
C17 C18 H18 118.2 . .
C15 C19 H19A 109.5 . .
C15 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C15 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 N5 126(3) . .
C21 C20 H20 117.0 . .
N5 C20 H20 117.0 . .
C20 C21 C22 115(3) . .
C20 C21 H21 122.6 . .
C22 C21 H21 122.6 . .
C21 C22 C23 127(3) . .
C21 C22 H22 116.6 . .
C23 C22 H22 116.6 . .
C22 C23 C24 113(2) . .
C22 C23 H23 123.6 . .
C24 C23 H23 123.6 . .
N5 C24 C23 116.8(19) . .
N5 C24 C25 115.6(19) . .
C23 C24 C25 127.5(19) . .
O8 C25 C24 105(2) . .
O8 C25 H25A 110.7 . .
C24 C25 H25A 110.7 . .
O8 C25 H25B 110.7 . .
C24 C25 H25B 110.7 . .
H25A C25 H25B 108.8 . .
C18 N4 C14 118.9(10) . .
C18 N4 Eu01 122.4(7) . .
C14 N4 Eu01 118.5(7) . .
C20 N5 C24 122.8(19) . .
C1 O1 Eu01 92.3(5) . .
C1 O2 Eu01 93.7(5) . .
C5 O3 Eu01 100.4(5) . .
C5 O4 Eu01 167.1(5) 2_666 .
C5 O4 Eu01 87.5(4) 2_666 2_666
Eu01 O4 Eu01 103.42(18) . 2_666
C9 O5 Eu01 137.8(6) . .
C9 O6 Eu01 136.1(6) 2_666 .
C13 O7 Eu01 121.7(6) . .
C25 O8 H8A 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu01 O4 2.343(6) .
Eu01 O6 2.380(5) .
Eu01 O5 2.376(6) .
Eu01 O3 2.422(6) .
Eu01 O2 2.456(5) .
Eu01 O1 2.476(5) .
Eu01 O7 2.487(6) .
Eu01 N4 2.533(8) .
Eu01 O4 2.688(5) 2_666
Eu01 C1 2.826(7) .
Eu01 C5 2.923(7) .
Eu01 Eu01 3.9548(8) 2_666
C1 O2 1.250(10) .
C1 O1 1.266(10) .
C1 C2 1.503(10) .
C2 C3 1.377(13) .
C2 C4 1.387(12) .
C3 C4 1.395(12) 2_655
C3 H3 0.9300 .
C4 N1 1.28(4) .
C4 C3 1.395(12) 2_655
C5 O3 1.257(10) .
C5 O4 1.273(10) 2_666
C5 C6 1.491(10) .
C6 C8 1.404(12) .
C6 C7 1.401(12) .
C7 N2 1.375(19) .
C7 C8 1.377(11) 2_566
C8 C7 1.377(11) 2_566
C8 H8 0.9300 .
C9 O5 1.248(11) .
C9 O6 1.257(10) 2_666
C9 C10 1.499(12) .
C10 C11 1.410(12) .
C10 C12 1.402(12) .
C11 C12 1.362(12) 2_656
C11 H11 0.9300 .
C12 C11 1.362(12) 2_656
C12 N3 1.44(2) .
C13 O7 1.348(13) .
C13 C14 1.496(16) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N4 1.343(14) .
C14 C15 1.419(18) .
C15 C16 1.339(19) .
C15 C19 1.497(5) .
C16 C17 1.371(19) .
C16 H16 0.9300 .
C17 C18 1.445(17) .
C17 H17 0.9300 .
C18 N4 1.318(14) .
C18 H18 0.9300 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.16(3) .
C20 N5 1.348(5) .
C20 H20 0.9300 .
C21 C22 1.391(5) .
C21 H21 0.9300 .
C22 C23 1.389(5) .
C22 H22 0.9300 .
C23 C24 1.393(5) .
C23 H23 0.9300 .
C24 N5 1.351(5) .
C24 C25 1.500(5) .
C25 O8 1.445(5) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
O4 C5 1.273(10) 2_666
O4 Eu01 2.688(5) 2_666
O6 C9 1.257(10) 2_666
O8 H8A 0.8200 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 216 34 ' '
