#------------------------------------------------------------------------------
#$Date: 2018-04-30 19:32:52 +0300 (Mon, 30 Apr 2018) $
#$Revision: 207565 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242482.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_2242482
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.2680
_cell_length_b                   6.2680
_cell_length_c                   4.9310
_exptl_crystal_F_000             239.00
_reflns_d_resolution_high        0.7013
_cod_data_source_file            wm5432SMB_Cs2ReF6_1asup3.hkl
_cod_data_source_block           SMB_Cs2ReF6_1a
_shelx_title                     ' SMB_Cs2ReF6_1a_0m_a.res in P-3m1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            170.20
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-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
0 1 0 1157.35 1148.24 17.07 o
-1 2 0 20479.45 20672.14 586.68 o
0 2 0 25.87 36.66 1.58 o
-1 3 0 294.94 271.79 3.22 o
0 3 0 14266.20 13757.53 202.17 o
-2 4 0 21118.70 20068.75 372.20 o
-1 4 0 537.20 506.98 5.92 o
0 4 0 66.82 70.03 1.74 o
-2 5 0 771.16 726.97 9.09 o
-1 5 0 9718.55 9443.47 99.49 o
0 5 0 114.22 115.27 3.42 o
-3 6 0 8560.63 8198.81 137.46 o
-2 6 0 99.10 102.35 2.95 o
-1 6 0 166.79 167.28 3.56 o
0 6 0 8379.73 8130.16 162.95 o
-3 7 0 105.72 105.55 2.43 o
-2 7 0 5751.21 5651.47 72.29 o
-1 7 0 303.29 304.06 6.96 o
0 7 0 409.70 403.93 17.10 o
-4 8 0 6027.55 5812.47 116.66 o
-3 8 0 171.06 172.74 3.96 o
-2 8 0 92.38 96.62 4.14 o
-1 8 0 4285.63 4297.03 65.44 o
0 0 1 2425.04 2202.33 87.01 o
-1 1 1 282.39 283.77 4.55 o
0 1 1 23175.43 24223.42 486.73 o
-2 2 1 28969.45 28585.49 583.11 o
-1 2 1 1102.85 1063.67 11.37 o
0 2 1 934.09 1032.94 15.19 o
-3 3 1 1625.47 1575.86 22.40 o
-2 3 1 329.71 327.08 4.16 o
-1 3 1 14084.88 13682.20 162.18 o
0 3 1 383.86 360.38 6.64 o
-4 4 1 152.27 156.02 3.02 o
-3 4 1 12752.65 12666.46 128.54 o
-2 4 1 1231.61 1183.91 13.91 o
-1 4 1 121.80 115.39 1.84 o
0 4 1 14923.02 14631.38 215.93 o
-5 5 1 7010.67 6711.05 114.63 o
-4 5 1 388.65 372.86 5.32 o
-3 5 1 97.69 98.57 1.96 o
-2 5 1 10927.11 10705.43 118.16 o
-1 5 1 990.85 974.29 12.12 o
0 5 1 218.73 217.80 5.20 o
-6 6 1 553.29 537.79 16.12 o
-5 6 1 78.12 80.53 2.74 o
-4 6 1 9668.81 9397.92 102.42 o
-3 6 1 582.88 570.26 7.68 o
-2 6 1 41.79 43.66 1.35 o
-1 6 1 6989.71 6867.35 83.15 o
0 6 1 602.08 603.58 13.25 o
-7 7 1 60.41 61.17 3.88 o
-6 7 1 5783.11 5578.27 81.16 o
-5 7 1 767.70 743.30 12.41 o
-4 7 1 126.87 127.46 2.62 o
-3 7 1 5404.97 5207.86 67.51 o
-2 7 1 195.26 199.77 4.22 o
-1 7 1 45.65 49.86 2.06 o
0 7 1 5053.10 5054.09 105.84 o
-7 8 1 262.38 250.08 6.47 o
-6 8 1 15.04 18.25 2.59 o
-5 8 1 4967.33 4830.67 68.58 o
-4 8 1 443.45 435.71 8.27 o
-3 8 1 35.73 41.03 1.86 o
-2 8 1 4973.92 4942.21 68.66 o
-1 8 1 411.70 415.25 9.31 o
0 0 2 1862.94 2095.58 50.43 o
-1 1 2 16811.95 16603.23 367.87 o
0 1 2 1491.45 1475.68 29.89 o
-2 2 2 5228.93 5349.62 72.50 o
-1 2 2 28.72 38.86 1.04 o
0 2 2 16374.21 16819.03 261.46 o
-3 3 2 76.97 74.31 2.03 o
-2 3 2 15023.79 15120.23 153.05 o
-1 3 2 1807.46 1772.20 19.00 o
0 3 2 14.90 19.87 1.43 o
-4 4 2 10150.06 10210.57 144.42 o
-3 4 2 1250.63 1229.40 13.13 o
-2 4 2 440.33 432.63 5.54 o
-1 4 2 10276.85 10379.22 108.43 o
0 4 2 2721.24 2695.79 46.56 o
-5 5 2 1230.56 1222.62 23.95 o
-4 5 2 13.37 17.92 1.05 o
-3 5 2 7382.03 7268.16 83.37 o
-2 5 2 776.42 774.59 9.74 o
-1 5 2 27.55 33.82 1.97 o
0 5 2 8858.17 8940.17 149.18 o
-6 6 2 71.11 74.09 3.86 o
-5 6 2 6802.11 6868.67 89.27 o
-4 6 2 1692.16 1662.83 19.99 o
-3 6 2 12.85 16.45 0.97 o
-2 6 2 6999.05 7054.10 87.19 o
-1 6 2 1045.62 1046.01 14.70 o
0 6 2 66.83 68.82 3.18 o
-7 7 2 3361.74 3351.55 72.72 o
-6 7 2 609.39 610.69 11.49 o
-5 7 2 45.08 46.61 2.03 o
-4 7 2 6328.71 6391.21 75.29 o
-3 7 2 957.11 965.47 14.76 o
-2 7 2 12.36 19.59 2.33 o
-1 7 2 4259.32 4241.83 57.97 o
0 7 2 397.23 400.92 11.43 o
-6 8 2 4020.32 4060.51 62.60 o
-5 8 2 691.19 685.22 13.43 o
-4 8 2 34.27 36.24 1.86 o
-3 8 2 4119.44 4255.55 57.03 o
-2 8 2 898.18 897.50 15.32 o
0 0 3 9178.96 9999.87 269.46 o
-1 1 3 2596.48 2500.18 46.36 o
0 1 3 124.99 140.55 3.93 o
-2 2 3 386.05 391.94 8.01 o
-1 2 3 12172.29 12799.83 147.57 o
0 2 3 6315.42 6312.49 96.95 o
-3 3 3 8650.33 8686.17 128.76 o
-2 3 3 2274.67 2347.46 25.08 o
-1 3 3 15.02 19.62 0.98 o
0 3 3 11056.78 11234.39 166.08 o
-4 4 3 3631.83 3603.41 58.67 o
-3 4 3 81.58 87.24 1.89 o
-2 4 3 6588.60 6942.81 75.14 o
-1 4 3 2037.70 2051.96 24.95 o
0 4 3 165.90 159.35 4.76 o
-5 5 3 16.60 22.57 2.33 o
-4 5 3 7319.27 7481.88 86.04 o
-3 5 3 1598.62 1625.61 19.12 o
-2 5 3 131.74 136.38 3.84 o
-1 5 3 6050.94 6068.40 72.49 o
0 5 3 1424.99 1427.32 26.72 o
-6 6 3 3882.94 4060.94 82.97 o
-5 6 3 1450.17 1500.18 22.64 o
-4 6 3 90.38 90.42 2.43 o
-3 6 3 5561.88 5667.06 72.46 o
-2 6 3 2407.88 2476.89 33.42 o
-1 6 3 17.66 20.04 1.50 o
0 6 3 3785.00 3819.40 76.65 o
-7 7 3 825.76 864.90 22.30 o
-6 7 3 54.61 57.47 2.90 o
-5 7 3 3716.69 3860.17 56.09 o
-4 7 3 1177.47 1170.43 18.21 o
-3 7 3 11.65 13.52 1.36 o
-2 7 3 5047.43 5121.29 69.11 o
-1 7 3 1080.99 1082.93 18.23 o
0 7 3 63.58 64.61 4.28 o
-5 8 3 30.23 26.09 2.65 o
-4 8 3 3032.52 3051.26 47.48 o
-3 8 3 1077.15 1118.78 19.01 o
0 0 4 6234.82 6757.22 183.59 o
-1 1 4 160.70 168.27 4.52 o
0 1 4 8815.24 9241.72 144.33 o
-2 2 4 4395.13 4490.53 75.90 o
-1 2 4 3468.51 3441.43 45.21 o
0 2 4 50.44 52.22 2.44 o
-3 3 4 2482.68 2475.94 41.17 o
-2 3 4 285.03 282.05 4.67 o
-1 3 4 6904.67 7087.13 79.17 o
0 3 4 3326.52 3296.99 57.25 o
-4 4 4 41.44 44.79 2.62 o
-3 4 4 5839.68 5913.47 68.53 o
-2 4 4 3987.06 4082.72 49.46 o
-1 4 4 97.01 100.92 2.99 o
0 4 4 3530.45 3444.09 66.56 o
-5 5 4 4247.39 4387.00 76.15 o
-4 5 4 2520.97 2510.43 32.02 o
-3 5 4 28.45 32.52 1.78 o
-2 5 4 5314.13 5609.04 72.05 o
-1 5 4 1998.57 2025.48 27.93 o
0 5 4 225.32 214.43 7.09 o
-6 6 4 2089.93 2202.60 47.94 o
-5 6 4 95.88 99.19 3.60 o
-4 6 4 2861.52 2928.64 40.71 o
-3 6 4 2073.50 2124.23 30.32 o
-2 6 4 27.80 26.91 1.96 o
-1 6 4 3530.20 3589.76 49.61 o
0 6 4 2050.82 2071.62 44.38 o
-5 7 4 1200.51 1246.63 23.89 o
-4 7 4 137.53 137.17 4.25 o
-3 7 4 3182.21 3154.70 48.04 o
-2 7 4 1789.25 1817.85 28.02 o
0 0 5 10.83 9.79 2.24 o
-1 1 5 5059.70 5215.69 82.59 o
0 1 5 4532.17 4728.31 75.16 o
-2 2 5 3947.40 3928.11 67.31 o
-1 2 5 215.90 220.41 4.18 o
0 2 5 2793.55 2836.99 49.37 o
-3 3 5 121.60 112.48 4.50 o
-2 3 5 4013.55 3882.21 50.53 o
-1 3 5 3324.05 3383.16 50.07 o
0 3 5 252.57 254.54 8.48 o
-4 4 5 2282.81 2168.30 55.08 o
-3 4 5 3357.47 3289.54 45.08 o
-2 4 5 8.77 11.06 1.51 o
-1 4 5 3568.80 3535.11 48.53 o
0 4 5 2928.52 2927.47 60.20 o
-5 5 5 1968.29 1881.60 40.44 o
-4 5 5 141.69 136.74 4.57 o
-3 5 5 3397.55 3323.36 47.73 o
-2 5 5 3288.63 3234.52 46.58 o
-1 5 5 71.47 74.95 3.43 o
0 5 5 2580.83 2575.62 53.90 o
-4 6 5 2283.49 2275.17 48.17 o
-3 6 5 70.05 71.46 3.70 o
-2 6 5 1881.40 1929.02 32.29 o
0 0 6 2128.18 2132.00 61.21 o
-1 1 6 4222.64 4214.23 71.50 o
0 1 6 133.32 123.69 4.26 o
-2 2 6 14.65 14.13 1.87 o
-1 2 6 2371.73 2329.01 29.95 o
0 2 6 3011.27 2969.73 51.56 o
-3 3 6 2407.74 2312.69 44.51 o
-2 3 6 4038.60 3918.13 51.01 o
-1 3 6 113.01 103.57 3.45 o
0 3 6 1821.78 1764.70 34.78 o
-4 4 6 2430.73 2273.80 89.99 o
-3 4 6 73.78 73.60 3.33 o
-2 4 6 1703.97 1671.40 26.74 o
-1 4 6 3199.52 3059.29 54.66 o
0 4 6 10.07 10.29 2.53 o
0 0 7 2689.16 2544.40 88.86 o