# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_2239099
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.7630
_cell_length_b                   12.7630
_cell_length_c                   6.3680
_exptl_crystal_F_000             1916.00
_reflns_d_resolution_high        0.7597
_cod_data_source_file            hb7160Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' la7znpb2-2 in I4/mcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1078.39
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z+1/2'
'x, -y, -z+1/2'
'y, x, -z+1/2'
'-y, -x, -z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1'
'x+1/2, -y+1/2, -z+1'
'y+1/2, x+1/2, -z+1'
'-y+1/2, -x+1/2, -z+1'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z-1/2'
'-x, y, z-1/2'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, 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
2 2 0 27283.73 37908.28 4831.06 o
1 3 0 16972.95 21987.39 899.92 o
3 3 0 265994.78 304956.69 36169.89 o
0 4 0 15245.47 21326.64 1519.99 o
2 4 0 652501.50 698498.81 37537.13 o
4 4 0 97021.77 104173.38 10629.20 o
1 5 0 14944.73 17914.12 616.48 o
3 5 0 125215.07 134777.88 7738.20 o
5 5 0 217055.27 224165.31 18338.80 o
0 6 0 152748.55 156350.98 10466.21 o
2 6 0 132830.16 140086.78 5620.65 o
4 6 0 11645.52 12516.75 680.82 o
6 6 0 691861.88 647635.31 42930.30 o
1 7 0 200185.50 204370.69 6927.61 o
3 7 0 211326.73 207170.16 8975.00 o
5 7 0 2571.00 3546.00 285.79 o
7 7 0 63944.82 64382.16 3895.50 o
0 8 0 505.66 1124.86 71.53 o
2 8 0 192011.05 187276.42 6052.70 o
4 8 0 64526.30 63050.61 2654.40 o
6 8 0 46238.63 45939.73 2057.54 o
8 8 0 63289.39 64162.10 3379.58 o
1 9 0 177470.70 167597.58 5667.75 o
3 9 0 109409.93 104629.04 3514.11 o
5 9 0 3979.61 4191.23 163.24 o
7 9 0 5208.08 5166.54 156.64 o
9 9 0 60103.51 61468.42 3272.01 o
0 10 0 38980.49 38985.12 1476.43 o
2 10 0 97944.59 93633.59 2488.70 o
4 10 0 162627.73 154168.41 5012.05 o
6 10 0 23108.79 22673.26 772.32 o
8 10 0 38054.93 38816.34 1052.87 o
10 10 0 144131.19 142488.27 6975.54 o
1 11 0 12205.58 12526.08 244.01 o
3 11 0 1837.59 2158.67 147.33 o
5 11 0 74976.09 72522.42 2216.12 o
7 11 0 2784.38 3079.78 86.35 o
9 11 0 31544.92 32507.48 906.16 o
11 11 0 26895.45 28599.52 1234.33 o
0 12 0 272181.31 260925.30 8255.16 o
2 12 0 28934.60 29028.24 463.61 o
4 12 0 50239.08 48448.54 1209.77 o
6 12 0 248949.72 238474.06 6199.54 o
8 12 0 24941.47 25302.37 692.66 o
1 13 0 69.14 324.82 40.31 o
3 13 0 23359.73 22604.00 420.66 o
5 13 0 1.23 45.48 9.78 o
7 13 0 91423.68 89253.76 2140.35 o
9 13 0 89101.76 92481.84 2517.87 o
0 14 0 156203.52 153579.56 3743.47 o
2 14 0 29372.96 29499.94 581.79 o
4 14 0 22136.40 22198.64 318.53 o
6 14 0 558.23 807.14 103.10 o
8 14 0 3434.47 3990.71 177.35 o
1 15 0 14620.18 14895.61 267.04 o
3 15 0 33787.68 34372.15 444.17 o
5 15 0 7209.59 7874.43 97.41 o
7 15 0 19215.25 19872.77 139.84 o
0 16 0 58401.14 58792.14 1497.32 o
2 16 0 44487.12 44739.43 677.36 o
4 16 0 66407.05 67611.69 689.96 o
1 2 1 35238.20 48123.55 2328.01 o
2 3 1 204140.30 241026.88 12877.54 o
1 4 1 609476.50 651595.25 23336.60 o
3 4 1 2726.00 3543.74 131.31 o
2 5 1 236529.55 247224.41 11707.68 o
4 5 1 9907.16 10536.76 501.75 o
1 6 1 3933.50 5443.55 149.48 o
3 6 1 73965.59 78094.11 2995.82 o
5 6 1 42304.87 44019.02 1740.19 o
2 7 1 64408.59 65232.26 1789.57 o
4 7 1 12315.69 13441.90 524.77 o
6 7 1 28878.52 29036.54 1035.17 o
1 8 1 180302.52 170936.94 4676.90 o
3 8 1 152655.11 149090.83 4544.97 o
5 8 1 120755.60 116292.51 3634.74 o
7 8 1 99766.26 97887.23 2721.27 o
2 9 1 4129.79 4521.50 143.19 o
4 9 1 19450.14 19814.99 547.12 o
6 9 1 44469.25 43712.32 1147.98 o
8 9 1 50733.04 50793.11 1224.74 o
1 10 1 10103.45 10380.64 212.14 o
3 10 1 137.34 419.81 61.24 o
5 10 1 139255.89 133961.30 3224.77 o
7 10 1 53778.38 53669.56 1395.60 o
9 10 1 59613.33 60443.88 1362.64 o
2 11 1 192135.73 181494.17 3113.59 o
4 11 1 41124.91 39760.60 669.23 o
6 11 1 1218.37 1554.70 56.39 o
8 11 1 6429.71 6654.58 167.93 o
10 11 1 28430.84 29105.69 706.38 o
1 12 1 23819.94 22969.34 356.56 o
3 12 1 14648.62 14697.30 278.62 o
5 12 1 2471.34 2776.11 78.51 o
7 12 1 840.26 1106.50 82.29 o
9 12 1 4058.64 4305.96 117.40 o
11 12 1 14187.83 15070.69 351.54 o
2 13 1 91653.14 88875.42 1302.98 o
4 13 1 2103.10 2242.79 58.49 o
6 13 1 1502.06 1630.07 64.74 o
8 13 1 2974.00 3185.58 72.87 o
10 13 1 12796.40 13552.13 287.62 o
1 14 1 10320.99 10539.08 138.88 o
3 14 1 27628.31 27333.52 361.41 o
5 14 1 69794.84 68355.53 861.05 o
7 14 1 23711.23 24314.55 282.30 o
9 14 1 3615.09 3842.88 101.21 o
2 15 1 1308.91 1445.30 67.63 o
4 15 1 91767.76 90850.98 1049.07 o
6 15 1 10806.29 11081.87 130.69 o
1 16 1 33529.82 34508.59 397.54 o
3 16 1 9711.45 9961.34 141.83 o
0 0 2 743867.75 843914.31 27640.35 o
1 1 2 1928.78 2828.96 173.87 o
0 2 2 540759.19 596369.69 35250.13 o
2 2 2 319108.88 357784.25 23379.31 o
1 3 2 6951.66 8607.95 370.53 o
3 3 2 236137.44 247921.03 16006.82 o
0 4 2 329674.56 340276.44 26190.46 o
2 4 2 1704.36 2449.15 73.69 o
4 4 2 110715.11 115706.10 8602.34 o
1 5 2 5510.24 6822.69 296.61 o
3 5 2 76760.25 80517.35 3523.60 o
5 5 2 195191.20 196960.72 14398.75 o
0 6 2 61088.25 62650.32 3515.14 o
2 6 2 72443.87 72438.06 2908.01 o
4 6 2 416058.16 392746.41 16928.14 o
6 6 2 62320.71 60660.18 4090.97 o
1 7 2 183970.48 176051.83 6157.79 o
3 7 2 142006.95 137467.30 5558.34 o
5 7 2 6654.05 7206.88 376.73 o
7 7 2 38368.10 39305.69 2290.93 o
0 8 2 246193.59 228709.47 7788.33 o
2 8 2 13458.75 13873.49 535.92 o
4 8 2 62964.00 61770.82 2206.34 o
6 8 2 61478.05 61028.60 2342.02 o
8 8 2 27346.99 27066.67 1415.58 o
1 9 2 119766.28 112586.73 3142.07 o
3 9 2 111747.83 106012.73 3222.98 o
5 9 2 6058.69 6269.39 193.44 o
7 9 2 1141.76 1362.50 62.40 o
9 9 2 64416.16 64550.78 2776.08 o
0 10 2 73080.20 68617.28 2345.38 o
2 10 2 22346.38 21692.27 603.10 o
4 10 2 2231.56 2698.38 123.17 o
6 10 2 270867.13 256705.67 7299.55 o
8 10 2 27370.18 27739.76 687.41 o
10 10 2 2027.07 2247.92 101.55 o
1 11 2 16316.44 16118.65 440.47 o
3 11 2 3741.75 3772.22 95.10 o
5 11 2 48647.27 47389.93 1075.71 o
7 11 2 5489.58 5679.98 167.25 o
9 11 2 18877.11 19424.01 476.63 o
11 11 2 29151.57 31254.59 858.15 o
0 12 2 11530.81 12658.62 828.24 o
2 12 2 268521.94 252340.45 4989.34 o
4 12 2 22802.65 22356.77 498.29 o
6 12 2 17553.89 17338.02 363.24 o
8 12 2 23052.23 23292.47 572.18 o
10 12 2 69260.94 72374.02 1561.58 o
1 13 2 1802.04 2047.33 72.86 o
3 13 2 12943.21 12488.89 253.77 o
5 13 2 1020.07 1317.26 62.46 o
7 13 2 90295.71 89333.81 1753.32 o
9 13 2 62804.96 64873.23 1313.37 o
0 14 2 2865.28 2840.02 89.82 o
2 14 2 21438.09 21082.93 396.35 o
4 14 2 23907.54 23420.94 363.15 o
6 14 2 84264.19 84470.84 1452.32 o
8 14 2 37888.89 39154.46 698.50 o
1 15 2 7464.07 7683.01 164.39 o
3 15 2 38253.76 38378.33 582.24 o
5 15 2 2929.91 3028.21 73.52 o
0 16 2 224364.53 220280.42 3946.50 o
2 16 2 3022.26 3359.12 70.76 o
1 2 3 24506.21 26420.59 819.97 o
2 3 3 110841.45 116777.49 4062.82 o
1 4 3 352082.56 350334.66 13782.95 o
3 4 3 1687.73 1917.15 88.52 o
2 5 3 148862.52 146980.02 6626.32 o
4 5 3 8211.45 8114.74 417.01 o
1 6 3 2011.49 2582.22 100.24 o
3 6 3 44044.63 44135.39 2129.39 o
5 6 3 26945.26 27199.32 1361.21 o
2 7 3 43380.76 42213.95 1902.35 o
4 7 3 9145.14 9387.90 378.88 o
6 7 3 18866.73 18936.54 938.28 o
1 8 3 119701.79 113512.37 4438.20 o
3 8 3 94922.84 91221.98 3904.59 o
5 8 3 83221.23 80490.23 3400.23 o
7 8 3 68771.91 67247.10 3000.64 o
2 9 3 2978.91 3160.23 101.38 o
4 9 3 11911.91 12107.45 468.54 o
6 9 3 29129.89 28555.54 1146.70 o
8 9 3 34542.10 34436.66 1408.85 o
1 10 3 5688.32 5776.12 235.77 o
3 10 3 76.84 340.75 54.10 o
5 10 3 95001.03 92549.48 3348.39 o
7 10 3 37280.97 37518.96 1355.72 o
9 10 3 40637.45 40753.60 1423.81 o
2 11 3 132361.84 123856.55 4376.34 o
4 11 3 29768.98 29055.25 1077.62 o
6 11 3 716.55 1039.02 84.27 o
8 11 3 5528.58 5750.45 191.54 o
10 11 3 20719.98 21612.38 614.85 o
1 12 3 16585.13 15992.30 619.21 o
3 12 3 9759.55 9852.08 317.60 o
5 12 3 1944.69 2189.43 67.55 o
7 12 3 701.91 1010.43 83.14 o
9 12 3 2672.01 3018.26 107.84 o
2 13 3 63491.97 61253.75 1915.80 o
4 13 3 1728.83 1974.41 68.18 o
6 13 3 943.18 1131.63 112.81 o
8 13 3 1713.27 1887.31 86.20 o
1 14 3 8252.92 8333.04 267.16 o
3 14 3 18825.49 18824.23 536.56 o
5 14 3 50577.50 50858.66 1360.68 o
7 14 3 17562.59 17886.62 445.43 o
2 15 3 1109.73 1382.64 86.28 o
4 15 3 63809.25 64064.95 1695.88 o
0 0 4 1162931.75 1078289.88 74607.88 o
1 1 4 652.31 1260.99 239.58 o
0 2 4 48.95 360.50 66.38 o
2 2 4 13062.31 14338.64 778.32 o
1 3 4 6670.15 6762.28 239.87 o
3 3 4 117176.34 115732.89 5427.92 o
0 4 4 3929.97 4504.99 185.35 o
2 4 4 235652.17 225954.61 6485.83 o
4 4 4 43512.59 41338.48 1548.78 o
1 5 4 2636.59 2918.58 121.78 o
3 5 4 42984.80 41960.71 1634.84 o
5 5 4 91885.62 89592.22 4769.38 o
0 6 4 75837.23 72712.04 4581.07 o
2 6 4 47934.34 46689.04 2003.36 o
4 6 4 5175.48 5236.87 272.92 o
6 6 4 309513.19 288419.16 17734.53 o
1 7 4 88907.47 86386.33 3980.92 o
3 7 4 83572.28 80480.23 3229.04 o
5 7 4 2582.95 2881.16 129.19 o
7 7 4 20353.21 20639.52 1294.55 o
2 8 4 82618.33 79078.28 3309.87 o
4 8 4 30213.33 30015.23 1321.36 o
6 8 4 20309.53 20491.18 889.21 o
8 8 4 30059.72 30575.41 1941.53 o
1 9 4 71272.95 68909.91 2888.38 o
3 9 4 59816.96 57391.73 2149.44 o
5 9 4 2292.68 2469.07 104.29 o
7 9 4 2580.31 2802.56 83.05 o
9 9 4 35240.71 35523.89 2221.08 o
0 10 4 14852.29 14332.80 800.23 o
2 10 4 47278.67 45384.43 1701.37 o
4 10 4 78212.50 76270.53 2552.29 o
6 10 4 11396.85 11630.96 518.23 o
8 10 4 19572.09 20177.06 840.59 o
10 10 4 72937.92 74147.30 4461.87 o
1 11 4 7259.74 7288.29 259.42 o
3 11 4 1337.11 1541.66 79.74 o
5 11 4 29237.80 29180.50 978.04 o
7 11 4 2137.39 2317.04 97.95 o
9 11 4 12945.33 13733.44 552.92 o
0 12 4 135588.28 129208.04 6429.33 o
2 12 4 12769.89 12568.67 447.43 o
4 12 4 21538.91 21735.28 641.49 o
6 12 4 125830.78 124268.83 4333.48 o
8 12 4 11915.43 12562.86 513.86 o
1 13 4 439.85 815.00 128.41 o
3 13 4 11539.33 11732.18 388.86 o
7 13 4 48415.04 48692.95 1789.33 o
0 14 4 73566.63 71676.75 3455.94 o
2 14 4 14749.27 14912.99 361.93 o
4 14 4 11394.58 11790.84 285.33 o
1 2 5 13310.42 13542.60 474.52 o
2 3 5 42607.15 42583.97 1382.10 o
1 4 5 146053.55 140816.42 5073.61 o
3 4 5 757.06 1798.65 371.25 o
2 5 5 67875.41 65546.17 2450.57 o
4 5 5 5321.08 5256.84 163.30 o
1 6 5 640.48 1126.45 107.54 o
3 6 5 17916.46 17644.16 663.83 o
5 6 5 12020.66 12131.81 388.23 o
2 7 5 21429.18 21053.00 882.88 o
4 7 5 5259.79 5503.23 186.37 o
6 7 5 8608.87 8663.52 361.79 o
1 8 5 57301.23 54468.07 2646.74 o
3 8 5 39737.91 38751.54 1532.86 o
5 8 5 42052.69 40790.07 1524.15 o
7 8 5 34346.83 34068.50 1328.37 o
2 9 5 1637.59 1844.38 92.36 o
4 9 5 4659.12 4893.44 218.88 o
6 9 5 13038.89 12882.04 508.95 o
8 9 5 16597.51 17097.92 761.08 o
1 10 5 1816.06 1988.19 111.95 o
5 10 5 46190.61 45647.93 1924.92 o
7 10 5 18573.05 19221.30 751.58 o
9 10 5 19403.21 19982.65 842.72 o
2 11 5 65664.16 62187.74 2596.45 o
4 11 5 16213.45 16465.13 632.29 o
1 12 5 8346.88 8408.73 355.66 o
3 12 5 4465.17 4642.28 182.12 o
5 12 5 1220.20 1506.99 75.96 o
2 13 5 31394.27 31302.34 1162.30 o
0 0 6 111286.56 111468.91 15715.14 o
0 2 6 92432.89 92047.77 5242.87 o
2 2 6 48225.74 48619.15 2676.05 o
1 3 6 5133.01 5239.61 198.02 o
3 3 6 41487.01 41442.07 1890.97 o
0 4 6 66581.94 65873.50 3791.18 o
2 4 6 104.77 325.15 75.26 o
4 4 6 18311.41 18330.46 644.89 o
1 5 6 1909.98 2014.66 81.31 o
3 5 6 20141.91 19713.13 643.71 o
5 5 6 28143.69 27290.71 876.36 o
0 6 6 7199.05 7284.77 424.98 o
2 6 6 18695.85 18851.60 763.11 o
4 6 6 89270.16 86362.52 2746.98 o
6 6 6 14763.87 15679.56 1136.37 o
1 7 6 28916.76 28535.10 1242.26 o
3 7 6 38454.70 36335.77 1371.37 o
5 7 6 700.28 853.75 110.67 o
7 7 6 8247.33 8277.12 516.68 o
0 8 6 52489.84 51926.33 3547.74 o
2 8 6 3414.27 3527.86 156.49 o
4 8 6 13329.15 13328.15 477.50 o
6 8 6 15837.37 16377.27 544.72 o
8 8 6 6902.84 7347.08 434.14 o
1 9 6 32246.68 31452.11 1482.04 o
3 9 6 24004.03 23965.38 1046.42 o
5 9 6 126.24 416.69 58.06 o
7 9 6 1954.90 2016.95 90.81 o
0 10 6 22261.86 22272.36 1650.09 o
2 10 6 4654.69 4995.20 251.76 o
6 10 6 68321.02 68571.47 2395.54 o
1 11 6 2017.24 2226.93 88.36 o
3 11 6 106.22 352.41 87.24 o
1 2 7 5896.15 6242.76 277.59 o
2 3 7 12537.45 13100.52 530.91 o
1 4 7 47303.93 47126.81 1770.33 o
2 5 7 24467.46 24600.82 1087.03 o
4 5 7 2857.83 2899.68 82.77 o
3 6 7 5265.39 5297.35 204.01 o
5 6 7 4009.97 4170.91 131.63 o
2 7 7 8393.65 8381.17 346.21 o
4 7 7 2479.82 2487.92 87.71 o
6 7 7 2903.68 3027.99 113.89 o
1 8 7 21215.86 20833.36 940.18 o
3 8 7 11713.01 11900.86 469.12 o
0 0 8 117821.24 123788.63 27921.61 o
1 1 8 1158.61 1473.40 130.95 o
2 2 8 2670.06 3114.93 183.13 o
1 3 8 527.47 897.08 191.53 o
3 3 8 20526.88 21166.67 1266.50 o
2 4 8 25720.34 26916.38 1056.09 o