data_2020124
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.6398
_cell_length_b                   4.6398
_cell_length_c                   7.3624
_exptl_crystal_F_000             237.00
_reflns_d_resolution_high        0.7020
_cod_data_source_file            sk3600SmLi3Bi2sup6.hkl
_cod_data_source_block           SmLi3Bi2
_shelx_title
' SmLi3Bi2 after absorption correction and tidy in P-3m1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            180.65
_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'
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 0 320.88 387.14 7.61 o
-1 2 0 32634.83 31459.45 342.02 o
0 2 0 247.81 304.59 10.93 o
-1 3 0 213.75 243.66 7.95 o
0 3 0 19549.59 18887.92 205.87 o
-2 4 0 16014.64 16154.01 175.08 o
-1 4 0 158.13 165.63 10.51 o
0 4 0 137.55 159.30 16.12 o
-2 5 0 121.16 128.98 12.83 o
-1 5 0 9809.32 9815.23 105.47 o
0 5 0 96.99 88.34 20.45 o
-3 6 0 7456.16 7716.78 155.92 o
-2 6 0 87.69 50.97 16.09 o
-1 6 0 79.62 95.22 31.83 o
0 0 1 3120.51 3401.72 49.50 o
-1 1 1 4642.66 4912.47 50.60 o
0 1 1 29724.91 30575.06 247.39 o
-2 2 1 21229.36 20453.72 198.60 o
-1 2 1 2114.07 2126.94 21.91 o
0 2 1 3428.03 3411.22 43.73 o
-3 3 1 1274.49 1277.44 28.55 o
-2 3 1 2770.61 2732.43 27.68 o
-1 3 1 16560.09 15979.22 110.96 o
0 3 1 1274.49 1229.15 26.90 o
-4 4 1 1657.92 1593.92 41.65 o
-3 4 1 11212.90 11212.48 98.59 o
-2 4 1 1057.64 1035.59 23.06 o
-1 4 1 1935.86 1900.43 28.57 o
0 4 1 9519.13 9273.32 118.10 o
-5 5 1 6230.73 6303.40 122.17 o
-4 5 1 671.58 680.22 26.02 o
-3 5 1 1438.53 1492.48 41.21 o
-2 5 1 8189.28 8019.33 105.56 o
-1 5 1 671.58 738.86 30.00 o
0 5 1 1114.82 1076.69 52.53 o
-5 6 1 885.75 935.93 75.14 o
-4 6 1 5489.32 5597.16 95.13 o
-3 6 1 517.33 558.94 32.33 o
-2 6 1 991.42 1038.26 47.25 o
-1 6 1 4860.50 5117.44 169.28 o
0 0 2 7684.97 8361.52 134.67 o
-1 1 2 12976.15 12708.24 117.44 o
0 1 2 15732.14 16029.30 142.33 o
-2 2 2 11499.23 11387.24 115.05 o
-1 2 2 5586.24 5705.64 43.57 o
0 2 2 9551.04 9375.56 92.28 o
-3 3 2 3680.77 3651.26 53.31 o
-2 3 2 7515.07 7345.04 60.32 o
-1 3 2 8983.63 8733.29 66.21 o
0 3 2 3680.77 3626.52 52.26 o
-4 4 2 4360.77 4284.21 81.61 o
-3 4 2 6039.74 5958.88 63.75 o
-2 4 2 3088.31 3001.22 38.56 o
-1 4 2 5128.03 5050.26 63.73 o
0 4 2 5101.80 5018.27 87.80 o
-5 5 2 3288.31 3318.15 85.72 o
-4 5 2 1988.77 1931.30 42.03 o
-3 5 2 3754.26 3689.17 59.13 o
-2 5 2 4366.05 4340.84 62.94 o
-1 5 2 1988.77 1970.31 46.74 o
0 5 2 2855.53 2764.04 81.01 o
-5 6 2 2224.91 2053.96 135.07 o
-4 6 2 2883.82 2882.46 65.54 o
-3 6 2 1553.46 1720.75 64.81 o
-2 6 2 2514.33 2598.61 59.28 o
-1 6 2 2542.97 2811.16 123.86 o
0 0 3 2097.42 2137.75 50.63 o
-1 1 3 23666.54 24652.75 216.52 o
0 1 3 3779.44 3926.39 45.10 o
-2 2 3 2978.61 3058.49 40.38 o
-1 2 3 1524.52 1515.49 22.51 o
0 2 3 18231.25 18140.86 166.97 o
-3 3 3 956.86 1007.89 34.36 o
-2 3 3 14697.72 14491.44 112.68 o
-1 3 3 2419.19 2456.72 30.41 o
0 3 3 956.86 908.76 32.68 o
-4 4 3 8837.18 8655.63 144.49 o
-3 4 3 1686.80 1680.66 32.88 o
-2 4 3 794.69 813.31 24.29 o
-1 4 3 10304.00 10082.97 97.01 o
0 4 3 1442.27 1454.22 48.63 o
-5 5 3 962.02 1010.24 55.76 o
-4 5 3 495.39 542.22 27.68 o
-3 5 3 7660.15 7624.59 94.28 o
-2 5 3 1248.62 1279.00 44.08 o
-1 5 3 495.39 534.47 28.00 o
0 5 3 5888.42 6167.70 192.74 o
-4 6 3 852.79 770.13 56.90 o
-3 6 3 376.48 406.06 30.32 o
-2 6 3 5206.92 5464.96 110.56 o
0 0 4 25721.34 26644.99 410.24 o
-1 1 4 52.47 66.19 7.41 o
0 1 4 343.59 386.38 15.41 o
-2 2 4 295.41 317.22 16.42 o
-1 2 4 20198.16 20101.46 142.53 o
0 2 4 52.27 82.49 10.21 o
-3 3 4 13738.42 13753.52 180.85 o
-2 3 4 50.08 61.16 7.87 o
-1 3 4 254.38 285.18 12.89 o
0 3 4 13738.42 13548.71 166.33 o
-4 4 4 42.12 43.45 18.40 o
-3 4 4 194.22 195.94 14.63 o
-2 4 4 11671.26 11315.52 111.95 o
-1 4 4 44.62 49.45 10.06 o
0 4 4 172.59 197.76 24.71 o
-5 5 4 126.46 175.52 30.73 o
-4 5 4 7642.25 7746.38 105.29 o
-3 5 4 39.80 8.42 11.56 o
-2 5 4 154.71 126.81 16.48 o
-1 5 4 7642.25 7682.66 103.16 o
0 5 4 35.47 48.01 24.50 o
-3 6 4 5961.13 5531.39 348.82 o
-2 6 4 33.38 50.15 47.72 o
0 0 5 2060.59 2038.32 59.00 o
-1 1 5 3165.82 3182.81 44.76 o
0 1 5 15130.33 15144.38 147.17 o
-2 2 5 12371.46 12302.97 150.50 o
-1 2 5 1664.01 1684.76 24.73 o
0 2 5 2598.46 2633.68 49.24 o
-3 3 5 1173.68 1168.16 50.65 o
-2 3 5 2172.13 2110.00 36.33 o
-1 3 5 10349.50 10240.30 95.94 o
0 3 5 1173.68 1250.02 45.39 o
-4 4 5 1383.18 1471.63 64.94 o
-3 4 5 7578.06 7594.90 88.87 o
-2 4 5 1008.14 960.15 36.04 o
-1 4 5 1588.92 1668.80 40.30 o
0 4 5 6585.85 6607.77 157.05 o
-5 5 5 4495.30 4782.86 210.57 o
-4 5 5 670.43 769.08 40.29 o
-3 5 5 1214.44 1173.85 43.78 o
-2 5 5 5765.98 5751.09 99.50 o
-1 5 5 670.44 689.28 34.65 o
0 5 5 953.73 822.05 121.60 o
0 0 6 3225.00 3286.52 85.36 o
-1 1 6 5520.94 5492.91 79.73 o
0 1 6 7198.81 7203.35 96.64 o
-2 2 6 6047.31 5814.66 86.72 o
-1 2 6 2734.92 2724.62 40.51 o
0 2 6 4611.21 4517.73 76.99 o
-3 3 6 2051.48 2078.92 70.58 o
-2 3 6 3914.99 3796.05 60.39 o
-1 3 6 5161.06 5029.31 65.87 o
0 3 6 2051.48 2034.26 55.53 o
-4 4 6 2549.62 2622.89 82.10 o
-3 4 6 3881.46 3881.71 62.90 o
-2 4 6 1804.80 1750.70 49.30 o
-1 4 6 2917.99 2903.11 53.19 o
0 4 6 3404.46 3405.13 138.95 o
-4 5 6 1275.34 1294.86 93.09 o
-3 5 6 2241.29 2286.47 58.52 o
-2 5 6 3002.99 3019.38 70.20 o
-1 5 6 1275.34 1276.38 83.46 o
0 0 7 476.53 556.71 81.11 o
-1 1 7 10928.80 11146.70 159.43 o
0 1 7 1343.56 1304.37 39.83 o
-2 2 7 1157.86 1064.93 50.83 o
-1 2 7 412.45 418.03 19.89 o
0 2 7 9347.60 8978.21 129.91 o
-3 3 7 316.59 388.02 42.08 o
-2 3 7 8083.44 8116.41 97.58 o
-1 3 7 1009.55 986.84 36.43 o
0 3 7 316.59 269.89 26.08 o
-4 4 7 5465.19 5334.68 216.45 o
-3 4 7 787.29 756.19 35.80 o
-2 4 7 279.54 306.13 23.70 o
-1 4 7 6190.04 6220.11 90.49 o
0 4 7 701.44 670.96 100.78 o
0 0 8 10538.89 10511.25 329.45 o
-1 1 8 19.92 37.74 16.55 o
0 1 8 228.01 220.26 24.24 o
-2 2 8 205.08 183.84 26.61 o
-1 2 8 9113.22 9308.69 104.28 o
0 2 8 18.48 40.86 17.88 o
-3 3 8 6976.22 7262.69 152.36 o
-2 3 8 17.23 45.54 15.15 o
-1 3 8 185.52 172.27 18.56 o
0 3 8 6976.22 6914.74 149.98 o
-3 4 8 153.35 134.25 69.51 o
-2 4 8 6158.09 6086.97 114.84 o
-1 4 8 15.11 41.33 24.12 o
0 0 9 1060.98 908.48 101.39 o
-1 1 9 1249.69 1204.28 66.22 o
0 1 9 5614.30 5630.10 130.66 o
-2 2 9 4950.39 4973.38 131.48 o
-1 2 9 927.97 962.41 44.03 o
0 2 9 1108.44 1056.75 58.51 o
-2 3 9 988.07 1122.73 69.70 o
-1 3 9 4386.49 4517.71 130.19 o
0 0 10 1324.48 1279.22 123.58 o
-1 1 10 1921.49 1976.96 91.67 o
0 1 10 3230.94 3283.04 121.32 o