data_2020122
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.6672
_cell_length_b                   4.6672
_cell_length_c                   7.4353
_exptl_crystal_F_000             234.00
_reflns_d_resolution_high        0.6967
_cod_data_source_file            sk3600PrLi3Bi2sup4.hkl
_cod_data_source_block           PrLi3Bi2
_shelx_title
' PrLi3Bi2 in P-3m1 after absorption correction and tidy'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            177.83
_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 0 448.04 522.91 11.42 o
-1 2 0 31623.01 31788.07 174.57 o
0 2 0 355.23 459.55 15.79 o
-1 3 0 303.97 376.15 11.38 o
0 3 0 19003.45 19083.56 139.95 o
-2 4 0 15604.74 15677.05 112.03 o
-1 4 0 221.40 276.85 13.95 o
0 4 0 191.98 217.88 19.69 o
-2 5 0 168.86 179.50 13.90 o
-1 5 0 9611.19 9736.52 75.95 o
0 5 0 134.97 193.16 32.49 o
-3 6 0 7329.36 7479.22 105.70 o
-2 6 0 121.95 149.51 19.32 o
-1 6 0 110.63 131.28 24.62 o
0 0 1 2345.77 2265.19 24.19 o
-1 1 1 4843.75 4981.18 32.75 o
0 1 1 29332.32 29998.40 175.64 o
-2 2 1 20927.06 20999.50 138.45 o
-1 2 1 1561.28 1610.99 19.47 o
0 2 1 3625.90 3635.34 37.31 o
-3 3 1 940.76 954.26 29.61 o
-2 3 1 2940.97 2950.05 25.60 o
-1 3 1 16362.28 16471.29 78.90 o
0 3 1 940.76 1022.62 24.88 o
-4 4 1 1767.44 1643.52 50.73 o
-3 4 1 11141.44 11248.70 71.91 o
-2 4 1 785.15 851.77 19.36 o
-1 4 1 2060.12 1995.41 27.43 o
0 4 1 9478.99 9303.00 126.24 o
-5 5 1 6236.45 5963.51 101.52 o
-4 5 1 503.81 555.40 23.23 o
-3 5 1 1536.81 1515.39 28.97 o
-2 5 1 8169.77 7961.28 60.94 o
-1 5 1 503.81 516.33 23.02 o
0 5 1 1196.38 1184.76 57.40 o
-5 6 1 954.55 934.42 58.77 o
-4 6 1 5503.42 5505.60 68.69 o
-3 6 1 389.36 427.39 25.82 o
-2 6 1 1066.25 1029.61 38.20 o
-1 6 1 4881.27 4941.09 88.89 o
0 0 2 8236.44 7992.24 117.09 o
-1 1 2 13635.75 13585.22 100.22 o
0 1 2 13440.63 13697.19 74.80 o
-2 2 2 9788.43 9685.90 74.97 o
-1 2 2 6056.37 6178.50 34.48 o
0 2 2 10029.53 10108.80 69.21 o
-3 3 2 4010.45 4018.41 46.92 o
-2 3 2 7915.24 7851.49 47.11 o
-1 3 2 7651.67 7648.41 44.30 o
0 3 2 4010.45 4036.77 48.14 o
-4 4 2 4631.11 4454.40 63.13 o
-3 4 2 5160.53 5175.00 43.59 o
-2 4 2 3370.31 3418.30 34.05 o
-1 4 2 5433.90 5450.18 47.25 o
0 4 2 4364.31 4320.28 63.57 o
-5 5 2 2820.95 2823.88 73.15 o
-4 5 2 2184.48 2164.66 43.24 o
-3 5 2 3994.50 3965.11 44.80 o
-2 5 2 3738.53 3775.01 47.11 o
-1 5 2 2184.48 2186.32 40.94 o
0 5 2 3048.81 2971.06 84.06 o
-5 6 2 2384.10 2517.46 110.02 o
-4 6 2 2476.65 2462.87 50.88 o
-3 6 2 1714.00 1746.23 47.91 o
-2 6 2 2689.27 2718.97 51.58 o
-1 6 2 2186.66 1976.07 100.59 o
0 0 3 2786.46 2735.75 43.06 o
-1 1 3 21214.07 20795.17 133.66 o
0 1 3 4839.20 4762.39 40.13 o
-2 2 3 3820.73 3895.13 41.09 o
-1 2 3 2027.59 2020.46 19.74 o
0 2 3 16356.52 16291.89 101.66 o
-3 3 3 1288.69 1319.33 32.86 o
-2 3 3 13218.23 13075.77 68.78 o
-1 3 3 3104.05 3138.59 27.84 o
0 3 3 1288.68 1311.97 29.35 o
-4 4 3 7995.96 7812.52 107.18 o
-3 4 3 2169.63 2180.64 32.85 o
-2 4 3 1074.92 1113.29 24.04 o
-1 4 3 9307.50 9273.73 67.48 o
0 4 3 1858.86 1817.90 50.84 o
-5 5 3 1247.91 1216.18 58.61 o
-4 5 3 675.91 705.94 30.41 o
-3 5 3 6941.39 6947.70 65.03 o
-2 5 3 1612.81 1625.18 45.31 o
-1 5 3 675.91 725.56 31.30 o
0 5 3 5351.49 5294.55 101.95 o
-4 6 3 1108.39 1040.77 50.89 o
-3 6 3 516.49 534.32 31.11 o
-2 6 3 4739.39 4765.98 85.14 o
-1 6 3 988.96 730.32 137.11 o
0 0 4 24469.70 23672.73 239.43 o
-1 1 4 383.16 436.67 16.29 o
0 1 4 125.25 133.91 10.70 o
-2 2 4 113.51 172.33 13.60 o
-1 2 4 19254.50 19077.23 92.42 o
0 2 4 336.55 362.44 19.10 o
-3 3 4 13163.35 12900.62 107.30 o
-2 3 4 295.16 309.77 13.42 o
-1 3 4 100.95 130.83 9.67 o
0 3 4 13163.35 12876.82 104.84 o
-4 4 4 210.14 229.63 28.75 o
-3 4 4 81.11 98.24 14.05 o
-2 4 4 11205.81 11042.93 76.37 o
-1 4 4 233.08 238.38 18.45 o
0 4 4 73.80 106.73 22.92 o
-5 5 4 57.52 70.59 29.48 o
-4 5 4 7375.84 7171.76 77.19 o
-3 5 4 190.76 177.99 20.82 o
-2 5 4 67.66 51.22 16.19 o
-1 5 4 7375.84 7490.24 83.42 o
0 5 4 158.97 177.83 40.10 o
-4 6 4 53.13 55.38 45.67 o
-3 6 4 5773.33 5720.81 189.26 o
-2 6 4 145.48 101.69 55.85 o
0 0 5 816.23 811.49 32.49 o
-1 1 5 2682.91 2714.51 40.90 o
0 1 5 15859.40 15505.75 102.22 o
-2 2 5 13002.11 12890.70 97.15 o
-1 2 5 657.92 703.63 18.76 o
0 2 5 2201.87 2208.00 35.65 o
-3 3 5 465.33 525.11 25.55 o
-2 3 5 1840.95 1873.96 27.11 o
-1 3 5 10902.48 10905.69 65.93 o
0 3 5 465.33 480.82 32.70 o
-4 4 5 1177.40 1191.48 54.50 o
-3 4 5 8013.74 8132.86 72.75 o
-2 4 5 399.76 416.60 22.72 o
-1 4 5 1349.93 1348.86 40.58 o
0 4 5 6976.84 7145.90 109.52 o
-5 5 5 4788.52 4501.89 251.44 o
-4 5 5 264.96 259.85 25.22 o
-3 5 5 1035.97 1125.54 50.55 o
-2 5 5 6119.23 6309.04 75.88 o
-1 5 5 264.96 250.51 24.60 o
0 0 6 3440.36 3202.78 103.70 o
-1 1 6 6996.85 6990.40 74.65 o
0 1 6 4732.47 4702.56 56.15 o
-2 2 6 3984.15 3936.26 55.18 o
-1 2 6 2918.55 2867.51 32.92 o
0 2 6 5855.69 5937.21 69.56 o
-3 3 6 2193.65 2146.64 47.70 o
-2 3 6 4979.97 4960.21 46.72 o
-1 3 6 3406.32 3355.92 37.78 o
0 3 6 2193.65 2205.44 50.35 o
-4 4 6 3259.27 3224.38 94.84 o
-3 4 6 2568.55 2590.35 46.08 o
-2 4 6 1932.57 1939.20 39.14 o
-1 4 6 3723.72 3673.36 55.64 o
0 4 6 2255.51 2183.04 78.50 o
-4 5 6 1371.63 1330.49 115.21 o
-3 5 6 2870.45 2978.13 59.44 o
-2 5 6 1991.92 2019.33 60.54 o
-1 5 6 1371.63 1092.68 163.15 o
0 0 7 1191.19 1357.48 91.92 o
-1 1 7 8610.96 8413.95 89.51 o
0 1 7 2060.09 2088.89 45.90 o
-2 2 7 1777.76 1776.67 57.23 o
-1 2 7 1027.43 1094.44 28.11 o
0 2 7 7376.57 7342.70 83.11 o
-3 3 7 784.81 818.76 43.13 o
-2 3 7 6388.09 6460.29 56.96 o
-1 3 7 1552.32 1605.12 48.28 o
0 3 7 784.81 806.92 39.45 o
-4 4 7 4337.71 4533.58 218.56 o
-3 4 7 1213.78 1243.13 41.48 o
-2 4 7 692.24 645.73 30.08 o
-1 4 7 4905.64 5029.69 77.00 o
0 4 7 1082.67 978.71 55.88 o
-3 5 7 3853.63 3831.87 271.90 o
-2 5 7 969.58 570.41 111.81 o
0 0 8 9630.40 9206.38 213.55 o
-1 1 8 330.92 377.14 32.65 o
0 1 8 23.49 62.43 24.35 o
-2 2 8 22.49 41.46 25.59 o
-1 2 8 8333.80 8392.98 78.05 o
0 2 8 291.32 328.19 30.32 o
-3 3 8 6391.68 6442.09 99.68 o
-2 3 8 258.77 284.54 24.23 o
-1 3 8 21.52 12.93 16.86 o
0 3 8 6391.68 6559.35 122.07 o
-3 4 8 19.58 -4.89 33.76 o
-2 4 8 5648.78 5974.89 129.45 o
-1 4 8 207.79 127.00 36.46 o
0 0 9 208.44 275.17 62.64 o
-1 1 9 801.67 783.04 51.48 o
0 1 9 6113.05 6219.37 110.01 o
-2 2 9 5397.68 5246.39 94.50 o
-1 2 9 181.94 201.44 24.99 o
0 2 9 714.21 760.57 56.05 o
-3 3 9 141.00 173.62 50.86 o
-2 3 9 639.32 618.91 36.60 o
-1 3 9 4790.01 4998.74 133.60 o
0 3 9 141.00 136.74 57.59 o
0 0 10 1323.55 1310.91 115.48 o
-1 1 10 2806.49 2818.90 95.09 o
0 1 10 1620.09 1668.88 109.45 o
-1 2 10 1181.92 1237.95 174.59 o