data_2020012
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.0315(11)
_cell_length_b                   4.0315(11)
_cell_length_c                   21.890(5)
_exptl_crystal_F_000             351
_reflns_d_resolution_high        0.7271
_cod_data_source_file            fa3364VIsup7.hkl
_cod_data_source_block           VI
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            278.71
_shelx_f_squared_multiplier      1.000
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 23916.80 24611.90 1087.86 o
0 0 9 4591.88 3905.77 449.98 o
0 0 12 33735.20 27464.40 1398.11 o
0 0 15 17498.40 16079.60 847.78 o
0 0 18 14890.70 16712.60 1358.35 o
0 0 21 1346.51 1771.66 327.83 o
0 0 24 3624.63 5119.99 937.65 o
0 0 27 2876.59 3542.92 705.69 o
1 0 -26 7031.25 10401.20 781.19 o
1 0 -23 5651.29 6482.61 563.31 o
1 0 -20 7263.02 7776.74 579.07 o
1 0 -17 1642.48 1694.82 239.85 o
1 0 -14 16496.10 16133.70 483.22 o
1 0 -11 21145.90 22987.80 757.96 o
1 0 -8 50422.90 48488.90 673.62 o
1 0 -5 8099.46 9196.80 210.99 o
1 0 -2 20518.30 18389.40 253.49 o
1 0 1 14536.30 13852.20 222.16 o
1 0 4 74799.60 77676.80 668.05 o
1 0 7 23932.70 25617.80 415.54 o
1 0 10 19142.10 18468.80 465.76 o
1 0 13 2559.79 2731.66 179.20 o
1 0 16 15138.70 20212.10 794.60 o
1 0 19 10200.30 10969.10 586.79 o
1 0 22 10216.70 13071.30 853.33 o
1 0 25 1087.82 1751.26 310.87 o
2 -1 0 56980.00 56529.70 528.09 o
2 -1 3 16277.00 19917.00 269.26 o
2 -1 6 15280.90 16173.50 251.83 o
2 -1 9 3855.52 3731.88 124.16 o
2 -1 12 22607.10 21296.60 372.45 o
2 -1 15 13131.30 11401.60 359.97 o
2 -1 18 11105.60 10931.60 414.14 o
2 -1 21 1081.31 1135.90 163.71 o
2 -1 24 2853.32 3944.34 340.67 o
2 -1 27 2346.24 3443.86 719.38 o
2 0 -25 899.78 1364.54 497.55 <
2 0 -22 7996.58 8049.30 619.24 o
2 0 -19 8011.81 7029.23 441.15 o
2 0 -16 11148.80 8603.68 381.78 o
2 0 -13 2010.60 1525.35 130.85 o
2 0 -10 12813.30 10511.80 304.98 o
2 0 -7 16435.80 16224.50 388.51 o
2 0 -4 43551.80 42588.80 633.47 o
2 0 -1 10424.70 9774.41 250.13 o
2 0 2 13418.90 13729.20 320.21 o
2 0 5 6349.76 7111.23 215.38 o
2 0 8 32156.30 36216.30 597.16 o
2 0 11 15346.30 16812.50 438.96 o
2 0 14 11777.70 12266.60 512.36 o
2 0 17 1295.49 1793.82 279.43 o
2 0 20 5574.78 6214.08 553.33 o
2 0 23 4534.62 5372.71 538.52 o
2 0 26 5615.32 9828.27 1445.46 o
3 -1 -23 3675.23 5023.15 766.38 o
3 -1 -20 4378.62 4839.52 329.67 o
3 -1 -17 1042.83 1137.63 119.86 o
3 -1 -14 8843.91 7284.48 266.87 o
3 -1 -11 11736.30 10190.70 272.43 o
3 -1 -8 22947.50 20965.40 415.67 o
3 -1 -5 4839.82 4882.55 189.17 o
3 -1 -2 9116.22 10359.40 250.80 o
3 -1 1 7774.12 8521.68 214.07 o
3 -1 4 30023.90 34108.10 456.94 o
3 -1 7 12269.80 12914.40 274.40 o
3 -1 10 9215.04 9174.77 265.25 o
3 -1 13 1581.26 1383.71 117.25 o
3 -1 16 8528.47 8685.40 425.94 o
3 -1 19 6389.32 6758.63 415.86 o
3 -1 22 6348.13 7914.97 535.15 o
3 0 -21 740.17 760.27 326.87 <
3 0 -18 6731.34 6588.82 565.79 o
3 0 -15 8080.06 7136.58 459.62 o
3 0 -12 12516.40 10991.30 466.48 o
3 0 -9 2336.77 2245.95 214.24 o
3 0 -6 7457.38 7113.78 391.21 o
3 0 -3 8937.68 9324.24 528.41 o
3 0 0 26685.40 27081.30 613.88 o
3 0 3 8937.68 8667.39 344.07 o
3 0 6 7457.38 9030.75 359.04 o
3 0 9 2336.77 2515.25 183.28 o
3 0 12 12516.40 15020.50 831.77 o
3 0 15 8080.06 7890.51 571.04 o
3 0 18 6731.34 8083.51 644.86 o
3 0 21 740.17 952.04 284.36 o
4 -2 0 20214.30 18665.80 790.71 o
4 -2 3 6982.02 7908.68 388.30 o
4 -2 6 5627.47 5344.29 270.10 o
4 -2 9 1864.65 1734.06 165.18 o
4 -2 12 9757.97 9473.26 437.20 o
4 -2 15 6479.75 6536.26 378.51 o
4 -2 18 5366.26 5760.11 455.70 o
4 -1 -19 4188.62 4149.83 626.82 o
4 -1 -16 5309.62 4802.32 408.20 o
4 -1 -13 1041.38 992.43 135.87 o
4 -1 -10 5390.49 4951.56 293.26 o
4 -1 -7 7509.83 7021.23 310.73 o
4 -1 -4 17082.10 16504.40 532.97 o
4 -1 -1 4702.76 4782.33 257.78 o
4 -1 2 4968.17 5690.55 330.93 o
4 -1 5 2974.95 3164.03 222.57 o
4 -1 8 13387.40 14544.70 584.15 o
4 -1 11 7339.76 7375.91 440.40 o
4 -1 14 5404.71 5347.49 391.14 o
4 -1 17 719.40 1028.44 238.02 o
4 0 -14 4325.82 3930.09 574.89 o
4 0 -11 5915.82 5806.67 444.68 o
4 0 -8 10557.10 11133.70 661.66 o
4 0 -5 2401.63 2250.10 304.21 o
4 0 -2 3867.61 3603.44 355.29 o
4 0 1 3767.69 3424.28 349.10 o
4 0 4 13392.50 14252.30 749.30 o
4 0 7 6021.05 6100.15 491.55 o
4 0 10 4269.73 5685.26 872.34 o
5 -2 -11 4811.30 4211.10 579.46 o
5 -2 -8 8423.07 8616.69 622.93 o
5 -2 -5 1968.73 1829.20 236.21 o
5 -2 -2 3076.05 3036.67 298.58 o
5 -2 1 3061.40 3124.43 301.89 o
5 -2 4 10638.10 12561.40 669.67 o
5 -2 7 4879.17 5192.73 482.19 o
5 -2 10 3430.42 3237.03 506.71 o
5 -1 -9 1055.50 693.57 217.67 o
5 -1 -6 2801.67 2276.32 410.80 o
5 -1 -3 3655.12 3129.71 502.98 o
5 -1 6 2801.67 3599.89 612.95 o