data_2020010
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.1174(6)
_cell_length_b                   4.1174(6)
_cell_length_c                   21.888(3)
_exptl_crystal_F_000             339
_reflns_d_resolution_high        0.7323
_cod_data_source_file            fa3364IVsup5.hkl
_cod_data_source_block           IV
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            267.58
_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
-1 2 0 54312.50 49074.80 881.05 o
0 3 0 27356.10 26324.30 420.20 o
-2 4 0 21589.50 19097.40 601.01 o
-1 5 0 11993.10 11890.10 416.37 o
-1 1 1 11984.90 11842.60 205.35 o
0 2 1 8944.73 8776.29 189.31 o
-2 3 1 7054.84 7119.73 116.26 o
-4 4 1 4058.30 4302.30 236.11 o
-1 4 1 4791.97 4968.73 149.27 o
-3 5 1 3480.37 3644.18 169.27 o
0 1 2 17448.20 18993.20 355.24 o
-2 2 2 11864.20 11872.00 210.17 o
-1 3 2 8455.09 8712.96 154.84 o
-3 4 2 5116.33 5348.05 138.51 o
0 4 2 4200.22 4323.25 205.91 o
-2 5 2 3522.48 3724.57 175.66 o
-1 2 3 14102.90 13983.10 183.54 o
-3 3 3 8569.69 9040.63 247.71 o
0 3 3 8569.69 9147.13 205.10 o
-2 4 3 7059.42 7031.90 190.15 o
-4 5 3 4303.45 4442.64 229.65 o
-1 5 3 4303.45 4486.66 236.36 o
-1 1 4 70865.70 71597.80 932.47 o
0 2 4 42524.90 49331.50 1000.58 o
-2 3 4 30439.80 32617.50 382.15 o
-4 4 4 15373.40 15974.70 532.68 o
-1 4 4 18807.30 20348.10 490.19 o
-3 5 4 12731.60 13620.80 320.89 o
0 1 5 6470.14 5549.64 142.19 o
-2 2 5 5373.24 5894.77 124.49 o
-1 3 5 4378.27 4448.95 135.31 o
-3 4 5 3065.04 3018.11 109.25 o
0 4 5 2630.10 2918.41 216.45 o
-2 5 5 2287.05 2198.45 149.46 o
0 0 6 20531.70 19232.90 918.47 o
-1 2 6 13629.10 14553.80 189.89 o
-3 3 6 7328.69 7100.98 199.91 o
0 3 6 7328.69 7197.58 202.68 o
-2 4 6 5823.66 5501.51 187.09 o
-4 5 6 3386.71 3841.52 240.88 o
-1 5 6 3386.71 3344.24 354.30 o
-1 1 7 21068.50 22642.60 342.95 o
0 2 7 15101.90 14878.00 307.17 o
-2 3 7 11850.80 12653.60 180.24 o
-4 4 7 6749.88 6796.49 376.94 o
-1 4 7 8019.61 7835.65 254.89 o
-3 5 7 5737.42 6250.48 232.60 o
0 1 8 49547.40 46643.20 805.29 o
-2 2 8 32777.40 34638.60 513.38 o
-1 3 8 24375.60 25836.00 444.22 o
-3 4 8 15487.40 16224.40 332.93 o
0 4 8 12743.10 12142.10 489.02 o
-2 5 8 10606.80 10290.30 503.02 o
0 0 9 3447.39 3013.41 258.28 o
-1 2 9 3143.04 3420.82 72.75 o
-3 3 9 2231.61 2065.62 91.54 o
0 3 9 2231.61 1770.52 101.82 o
-2 4 9 1914.92 1898.98 94.62 o
-4 5 9 1323.06 1964.80 292.31 o
-1 5 9 1323.06 1043.09 186.84 o
-1 1 10 17441.10 17292.90 301.62 o
0 2 10 12216.50 11238.00 223.04 o
-2 3 10 9223.33 9709.01 168.34 o
-4 4 10 4961.13 5573.09 336.86 o
-1 4 10 5959.62 5292.22 173.24 o
-3 5 10 4189.25 4082.50 239.94 o
0 1 11 19875.90 20239.40 492.37 o
-2 2 11 15145.30 16074.60 294.94 o
-1 3 11 12176.30 11340.80 219.12 o
-3 4 11 8389.04 8465.51 222.85 o
0 4 11 7085.59 6358.48 323.40 o
-2 5 11 6035.24 5919.11 542.19 o
0 0 12 34982.60 34284.60 1561.25 o
-1 2 12 24461.50 24750.10 314.40 o
-3 3 12 14808.60 15268.50 411.28 o
0 3 12 14808.60 12762.20 447.57 o
-2 4 12 12066.50 11347.70 303.07 o
-1 1 13 1927.11 1800.13 75.55 o
0 2 13 1671.33 1664.16 74.14 o
-2 3 13 1438.47 1485.64 58.56 o
-4 4 13 1004.58 1068.09 159.75 o
-1 4 13 1114.87 980.22 81.65 o
-3 5 13 916.32 908.36 206.96 o
0 1 14 16337.60 15401.10 358.19 o
-2 2 14 12233.40 11497.60 300.10 o
-1 3 14 9636.60 9780.99 192.29 o
-3 4 14 6478.22 6063.36 225.22 o
0 4 14 5437.32 4925.92 435.58 o
0 0 15 17880.00 19294.30 734.69 o
-1 2 15 14125.00 13606.10 235.79 o
-3 3 15 9588.28 9576.34 350.37 o
0 3 15 9588.28 8333.06 355.64 o
-2 4 15 8058.40 7609.29 247.00 o
-1 1 16 17593.00 16072.50 410.56 o
0 2 16 13596.20 13756.00 335.82 o
-2 3 16 10903.40 10719.10 278.19 o
-4 4 16 6256.04 8505.12 764.16 o
-1 4 16 7438.39 7264.95 255.87 o
0 1 17 1245.40 1384.47 113.55 o
-2 2 17 1088.00 1096.90 99.65 o
-1 3 17 962.33 996.01 79.13 o
-3 4 17 789.67 834.20 91.74 o
0 0 18 16412.80 17813.30 1021.71 o
-1 2 18 12832.30 12746.60 292.75 o
-3 3 18 8528.65 8550.07 339.13 o
0 3 18 8528.65 7617.51 356.81 o
-2 4 18 7115.64 6986.75 315.14 o
-1 1 19 12126.20 12182.80 407.13 o
0 2 19 10016.80 8627.75 325.35 o
-2 3 19 8383.86 8449.00 284.56 o
-1 4 19 6032.03 5494.74 536.97 o
0 1 20 9583.35 10249.30 375.88 o
-2 2 20 7734.23 7736.20 308.28 o
-1 3 20 6377.19 6333.54 235.82 o
-3 4 20 4514.36 4769.71 306.44 o
0 0 21 1064.39 1199.14 124.10 o
-1 2 21 943.04 855.73 71.37 o
-3 3 21 774.43 818.23 116.48 o
0 3 21 774.43 680.80 121.36 o
-2 4 21 715.15 873.07 204.30 o
-1 1 22 13430.50 15073.40 482.90 o
0 2 22 10992.80 9905.68 387.94 o
-2 3 22 9119.84 9341.91 341.85 o
0 1 23 7897.17 9045.77 353.38 o
-2 2 23 6657.69 6531.97 349.59 o
-1 3 23 5660.92 5956.21 379.20 o
0 0 24 5418.96 5964.04 544.90 o
-1 2 24 4491.43 4733.72 211.68 o
-1 1 25 1047.55 1416.42 152.49 o
0 2 25 944.37 935.45 124.70 o
0 1 26 11235.20 13816.20 582.66 o
-2 2 26 9364.19 9819.48 732.08 o
0 0 27 4740.93 4982.03 510.69 o
-1 2 27 4066.46 4967.85 365.41 o
-1 1 28 2759.93 3240.39 387.94 o