#------------------------------------------------------------------------------
#$Date: 2018-05-03 12:49:50 +0300 (Thu, 03 May 2018) $
#$Revision: 207638 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300633.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_2300633
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.800(10)
_cell_length_b                   6.800(10)
_cell_length_c                   4.75(4)
_exptl_crystal_F_000             95.315
_reflns_d_resolution_high        0.7723
_cod_data_source_file            pd5100Isup2.hkl
_cod_data_source_block           I
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            52.85
_shelx_f_squared_multiplier      1.000
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'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-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'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
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
1 0 0 145.77 182.60 17.20 o
2 -1 0 291.32 296.00 11.50 o
2 -1 2 3060.88 2792.75 33.71 o
2 0 0 243.88 211.43 23.15 o
2 0 2 421.94 424.77 17.28 o
3 -1 0 931.93 937.97 13.34 o
3 -1 1 959.72 1022.54 38.00 o
3 -1 3 839.96 874.54 36.30 o
3 0 0 3088.08 2783.14 40.82 o
3 0 2 243.97 251.79 24.97 o
3 0 4 2363.13 2410.26 53.26 o
4 -2 0 576.59 593.92 15.20 o
4 -2 1 187.54 159.53 25.04 o
4 -2 2 2015.34 2016.24 21.12 o
4 -2 3 162.59 165.30 48.05 o
4 -2 4 444.01 505.50 36.30 o
4 -1 0 374.30 420.93 17.00 o
4 -1 1 200.06 228.73 19.13 o
4 -1 2 230.76 332.52 28.55 o
4 -1 3 171.81 255.63 30.59 o
4 -1 4 281.92 255.63 38.49 o
4 0 2 1428.37 1531.88 27.36 o
5 -2 0 164.10 238.34 46.04 o
5 -2 1 253.06 347.89 30.49 o
5 -2 2 408.51 470.90 22.74 o
5 -2 3 223.20 294.08 36.38 o
5 -2 5 173.65 171.06 103.79 <
5 -1 0 1560.07 1556.87 36.56 o
5 -1 1 1.68 38.44 53.81 <
5 -1 2 692.19 732.30 12.87 o
5 -1 3 1.48 171.06 59.50 <
5 0 2 2293.43 2287.25 25.14 o
6 -3 0 453.75 388.26 65.46 o
6 -3 1 715.33 832.25 29.94 o
6 -3 2 1738.39 1704.87 25.59 o
6 -3 4 349.15 161.45 201.87 <
6 -2 0 1062.63 1168.61 17.47 o
6 -2 1 139.20 367.11 61.22 o
6 -2 2 0.31 76.88 57.64 <
6 -1 0 613.10 636.20 71.06 o
6 -1 1 160.82 176.83 44.19 o
6 -1 2 41.81 165.30 47.97 o
6 -1 4 470.56 205.66 132.78 <
6 0 0 416.39 372.88 71.18 o
6 0 2 1543.84 1343.52 31.34 o
7 -3 0 166.93 174.91 40.35 o
7 -3 1 111.18 180.67 57.61 o
7 -3 2 284.12 251.79 48.10 o
7 -2 0 1084.53 870.69 37.96 o
7 -2 1 179.78 394.02 90.13 o
7 -2 2 685.78 572.77 48.43 o
7 -1 0 952.93 836.10 50.52 o
7 0 2 636.33 274.85 43.18 o
8 -4 0 1435.50 1232.04 34.77 o
8 -4 1 161.27 401.71 97.81 o
8 -4 2 333.05 271.01 98.07 <
8 -3 2 843.22 743.84 29.54 o
8 -2 0 447.99 499.73 28.60 o
8 -2 2 40.36 330.59 117.09 <
8 -1 0 852.13 1151.31 25.76 o