#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:40:35 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181870 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/00/2020016.hkl $
#------------------------------------------------------------------------------
#
# 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_2020016
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.9615(8)
_cell_length_b                   3.9615(8)
_cell_length_c                   21.810(3)
_exptl_crystal_F_000             363
_reflns_d_resolution_high        0.7332
_cod_data_source_file            fa3364Xsup11.hkl
_cod_data_source_block           X
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            295.09
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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 6 29379.00 39800.40 1609.72 o
0 0 9 6433.69 7080.55 322.05 o
0 0 12 42085.20 46820.00 1902.67 o
0 0 15 25030.10 22638.90 953.79 o
0 0 18 24967.10 26462.30 1127.06 o
0 0 21 3089.04 3108.14 188.91 o
0 0 24 7119.41 6897.67 368.92 o
0 0 27 5969.71 5581.89 467.25 o
1 0 -29 3192.75 2958.65 217.87 o
1 0 -26 16307.90 16239.00 785.52 o
1 0 -23 10277.40 9683.07 340.21 o
1 0 -20 11922.10 12057.30 358.18 o
1 0 -17 3217.29 3376.41 128.60 o
1 0 -14 24816.20 24640.00 614.79 o
1 0 -11 28239.80 30425.80 739.95 o
1 0 -8 58990.40 67874.90 2000.39 o
1 0 -5 10474.20 10864.20 485.73 o
1 0 -2 24716.90 26174.30 1088.92 o
1 0 1 17791.90 15889.70 696.28 o
1 0 4 83144.80 87077.00 2157.66 o
1 0 7 30072.70 31749.40 819.31 o
1 0 10 25978.80 24155.90 738.67 o
1 0 13 4234.83 4264.22 130.02 o
1 0 16 21460.70 19521.70 550.32 o
1 0 19 16394.80 15432.50 436.30 o
1 0 22 20071.20 23281.40 974.04 o
1 0 25 3008.82 2872.52 165.59 o
1 0 28 4030.39 3702.58 378.94 o
2 -1 0 64769.00 44380.30 2236.40 o
2 -1 3 20651.10 19780.50 363.38 o
2 -1 6 20050.20 20392.70 431.73 o
2 -1 9 5749.18 5934.85 129.01 o
2 -1 12 29630.40 29761.70 601.48 o
2 -1 15 19573.40 19925.60 535.71 o
2 -1 18 19465.90 19124.90 497.61 o
2 -1 21 2607.22 2543.73 145.32 o
2 -1 24 5888.74 5735.20 248.32 o
2 -1 27 5093.52 5798.19 364.33 o
2 0 -25 2603.77 2774.66 230.99 o
2 0 -22 16382.20 17327.40 858.60 o
2 0 -19 13399.50 13628.30 700.08 o
2 0 -16 16539.50 17832.70 695.90 o
2 0 -13 3511.19 3839.52 221.83 o
2 0 -10 18398.80 18071.20 584.24 o
2 0 -7 21756.00 22635.90 704.67 o
2 0 -4 51235.60 50279.20 1166.07 o
2 0 -1 13618.50 13889.00 444.37 o
2 0 2 17316.30 19055.70 758.47 o
2 0 5 8744.34 9520.77 283.30 o
2 0 8 39646.40 41064.70 1237.53 o
2 0 11 21432.90 21708.90 777.05 o
2 0 14 18610.00 18172.90 490.07 o
2 0 17 2675.47 2887.04 157.14 o
2 0 20 9589.24 9032.60 442.29 o
2 0 23 8596.36 8863.11 482.63 o
2 0 26 13571.00 14327.80 976.47 o
3 -1 -23 7270.55 7318.82 634.14 o
3 -1 -20 7900.25 8158.04 338.87 o
3 -1 -17 2269.77 2332.84 146.40 o
3 -1 -14 14657.50 14759.00 544.47 o
3 -1 -11 17079.50 17046.20 580.84 o
3 -1 -8 29639.40 31305.70 778.26 o
3 -1 -5 7011.80 7128.64 187.07 o
3 -1 -2 12518.70 12580.00 296.59 o
3 -1 1 10676.50 10131.20 220.34 o
3 -1 4 37082.50 34578.70 701.57 o
3 -1 7 16974.80 16422.30 409.24 o
3 -1 10 13952.80 12672.60 346.12 o
3 -1 13 2911.85 2736.08 101.00 o
3 -1 16 13240.50 13463.80 495.68 o
3 -1 19 11126.30 11013.40 417.56 o
3 -1 22 13567.70 13212.30 673.38 o
3 0 -18 12889.50 13978.60 737.03 o
3 0 -15 13047.10 13461.10 699.88 o
3 0 -12 17951.40 18930.10 919.70 o
3 0 -9 3864.22 3958.21 271.66 o
3 0 -6 10992.30 10860.60 367.96 o
3 0 -3 12470.50 12350.00 423.51 o
3 0 0 33470.80 33737.60 1033.13 o
3 0 3 12470.50 12820.90 496.45 o
3 0 6 10992.30 10678.00 502.68 o
3 0 9 3864.22 3875.17 187.81 o
3 0 12 17951.40 17790.60 814.80 o
3 0 15 13047.10 12875.20 619.32 o
3 0 18 12889.50 13671.10 551.46 o
3 0 21 1966.65 2007.15 246.68 o
4 -2 0 26488.30 25098.50 843.60 o
4 -2 3 10171.20 9869.59 258.73 o
4 -2 6 8755.83 8794.63 320.43 o
4 -2 9 3245.37 3055.54 164.85 o
4 -2 12 14633.30 15293.60 550.43 o
4 -2 15 10897.60 10736.10 363.82 o
4 -2 18 10741.50 10657.40 827.03 o
4 -1 -13 2131.00 2256.44 149.43 o
4 -1 -10 9030.68 9622.62 384.20 o
4 -1 -7 11293.70 11147.70 421.33 o
4 -1 -4 23043.70 25555.60 790.98 o
4 -1 -1 7075.24 7295.36 275.45 o
4 -1 2 7647.23 8239.99 302.69 o
4 -1 5 4746.11 4524.90 147.32 o
4 -1 8 18882.30 18105.00 526.20 o
4 -1 11 11586.00 11675.00 424.48 o
4 -1 14 9839.42 9755.22 375.30 o
4 -1 17 1734.34 1771.07 164.49 o
4 0 -11 9733.96 10881.80 892.04 o
4 0 -8 15556.70 17366.30 892.57 o
4 0 -5 4021.55 4335.17 320.06 o
4 0 -2 6286.93 7429.44 454.95 o
4 0 1 5932.95 5690.36 318.40 o
4 0 4 18862.70 17710.90 768.10 o
4 0 7 9443.42 9591.59 508.72 o
4 0 10 7516.57 7309.23 421.42 o
4 0 13 1875.14 1949.58 266.04 o
5 -2 -8 12972.00 12159.40 518.38 o
5 -2 -5 3461.34 3215.19 172.20 o
5 -2 -2 5275.95 4900.97 223.57 o
5 -2 1 5048.41 4996.27 263.79 o
5 -2 4 15647.40 14477.30 706.20 o
5 -2 7 7986.04 8450.31 476.00 o
5 -2 10 6343.30 5802.68 498.87 o
5 -1 -6 5096.94 5603.33 561.77 o
5 -1 -3 6072.47 7251.74 450.37 o
5 -1 0 14787.90 17246.80 861.60 o
5 -1 3 6072.47 6918.60 588.54 o