#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/56/2215687.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2215687_Fobs
loop_
_publ_author_name
'Christianson, Andrew D.'
'Bobev, Svilen'
_publ_section_title
;
 Pr~3~InO: re-assessment of the cubic Pr~3~In structure
;
_journal_coeditor_code           WM2146
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i184
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.9822
_cell_length_b                   4.9822
_cell_length_c                   4.9822
_exptl_crystal_F_000             234.00
_reflns_d_resolution_high        0.7598
_[local]_cod_data_source_file    wm2146Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Pr3InO in Pm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            181.07
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
0 0 1 271.46 291.03 8.48 o
0 1 1 9.14 5.10 1.87 o
1 1 1 31630.58 32874.30 73.32 o
0 0 2 32785.79 34195.02 98.06 o
0 1 2 188.92 201.20 3.44 o
1 1 2 14.18 10.40 1.86 o
0 2 2 23960.80 24079.37 57.06 o
1 2 2 148.83 154.74 3.76 o
2 2 2 18634.42 18033.87 69.24 o
0 0 3 127.12 125.16 7.49 o
0 1 3 24.88 24.30 2.81 o
1 1 3 17898.80 17002.26 38.29 o
0 2 3 110.03 107.76 4.28 o
1 2 3 26.35 30.41 2.37 o
2 2 3 99.98 95.12 5.13 o
0 3 3 34.83 51.76 6.09 o
1 3 3 12007.60 11540.46 40.14 o
2 3 3 33.52 43.77 5.04 o
3 3 3 8643.69 8561.11 79.40 o
0 0 4 15064.47 14280.80 88.43 o
0 1 4 115.63 122.88 5.22 o
1 1 4 19.87 21.52 3.81 o
0 2 4 12485.14 11948.26 40.80 o
1 2 4 106.45 100.04 3.96 o
2 2 4 10524.51 10166.77 43.31 o
0 3 4 86.46 86.25 6.43 o
1 3 4 24.79 29.54 3.98 o
2 3 4 80.48 81.51 5.37 o
3 3 4 25.56 22.45 7.58 o
0 4 4 7735.73 7905.07 64.52 o
1 4 4 84.52 91.53 8.81 o
2 4 4 6712.50 7047.15 49.19 o
3 4 4 64.13 71.43 19.88 o
0 0 5 64.29 65.54 11.38 o
0 1 5 38.71 26.86 6.01 o
1 1 5 8645.77 8381.41 42.61 o
0 2 5 60.61 66.65 6.63 o
1 2 5 35.12 33.78 4.54 o
2 2 5 56.87 50.67 7.58 o
0 3 5 37.59 34.44 7.60 o
1 3 5 6457.42 6592.62 31.64 o
2 3 5 33.15 27.16 6.55 o
3 3 5 4941.85 5790.44 667.75 o
0 4 5 49.64 49.94 42.78 o
1 4 5 24.22 3.51 17.72 o
0 0 6 6715.62 6691.45 85.76 o
0 1 6 78.34 61.92 8.64 o
1 1 6 14.04 1.44 8.04 o
0 2 6 5863.74 6197.42 72.67 o
1 2 6 72.25 62.13 14.17 o