#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/77/2017719.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2017719_Fobs
loop_
_publ_author_name
'Harrison, William T. A.'
_publ_section_title
;
 K~2~ScSn(AsO~4~)~3~: an arsenate-containing langbeinite
;
_journal_coeditor_code           KU3025
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i82
_journal_page_last               i84
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.3927
_cell_length_b                   10.3927
_cell_length_c                   10.3927
_exptl_crystal_F_000             1216.00
_reflns_d_resolution_high        0.6325
_[local]_cod_data_source_file    ku3025Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  KSCAS  SITE TESTS'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            280.58
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
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 1 1 19588.79 21095.42 767.58 o
1 1 1 19527.71 19366.58 1230.90 o
0 0 2 381.67 449.17 20.25 o
1 0 2 432.58 717.60 19.28 o
-1 1 2 12023.68 13277.23 131.14 o
0 1 2 8792.65 8414.22 63.96 o
1 1 2 11186.80 12439.89 177.35 o
-2 2 2 4938.96 4468.57 95.63 o
-1 2 2 9121.48 9122.24 149.10 o
0 2 2 1411.28 1875.15 54.06 o
1 2 2 9079.59 8628.11 72.83 o
2 2 2 5021.44 4214.50 138.14 o
1 0 3 76027.99 74203.57 851.67 o
2 0 3 10057.88 10083.58 116.03 o
-2 1 3 58599.52 55635.34 740.91 o
-1 1 3 23658.88 24390.31 305.56 o
0 1 3 78724.34 79972.16 402.51 o
1 1 3 23843.82 23344.59 342.88 o
2 1 3 59132.07 56452.21 499.90 o
-2 2 3 13181.67 12306.52 92.46 o
-1 2 3 18822.05 19530.11 245.84 o
0 2 3 26690.11 31264.26 265.71 o
1 2 3 19007.85 18912.35 163.88 o
2 2 3 13182.07 12744.78 187.96 o
-3 3 3 17919.84 18634.12 266.17 o
-2 3 3 542.73 872.51 16.82 o
-1 3 3 1160.67 1588.77 29.90 o
0 3 3 2462.81 2532.61 41.72 o
1 3 3 1105.60 980.09 20.69 o
2 3 3 413.00 310.66 17.14 o
3 3 3 16517.66 17300.79 133.45 o
0 0 4 1604.56 1335.60 34.38 o
1 0 4 4245.09 3907.90 48.90 o
2 0 4 20861.59 19252.22 204.61 o
3 0 4 6991.56 6827.85 139.21 o
-3 1 4 9541.40 10067.74 118.01 o
-2 1 4 3667.95 4032.63 52.84 o
-1 1 4 857.14 1017.40 22.31 o
0 1 4 196.79 441.00 18.08 o
1 1 4 830.25 822.31 20.05 o
2 1 4 3390.13 2862.27 52.86 o
3 1 4 9934.57 10574.44 115.73 o
-3 2 4 19563.74 20684.63 146.03 o
-2 2 4 18283.27 17625.40 213.30 o
-1 2 4 4361.53 3430.43 27.83 o
0 2 4 5719.72 5787.13 66.49 o
1 2 4 4613.17 4116.56 69.58 o
2 2 4 17345.68 15668.65 170.09 o
3 2 4 19222.78 19136.95 163.28 o
-3 3 4 5466.77 5638.08 53.01 o
-2 3 4 2840.83 3003.36 33.56 o
-1 3 4 5705.88 5138.64 44.36 o
0 3 4 3077.26 2891.43 39.39 o
1 3 4 6040.97 5208.77 57.59 o
2 3 4 2920.94 3011.40 50.41 o
3 3 4 5566.76 5860.31 75.71 o
-4 4 4 33956.77 33246.40 535.36 o
-3 4 4 2438.24 2514.56 51.10 o
-2 4 4 1001.86 1098.80 22.20 o
-1 4 4 35232.04 33938.88 209.95 o
0 4 4 2479.28 2211.63 43.58 o
1 4 4 35952.48 34958.18 386.19 o
2 4 4 1119.86 1138.67 30.10 o
3 4 4 2560.72 2608.10 49.51 o
4 4 4 34844.50 35120.85 672.81 o
1 0 5 296.94 314.33 18.89 o
2 0 5 882.42 819.53 26.97 o
3 0 5 176.42 247.71 23.31 o
4 0 5 858.93 1099.86 30.36 o
-4 1 5 2916.65 2840.80 44.94 o
-3 1 5 17419.02 17548.68 201.00 o
-2 1 5 1958.83 2339.93 48.58 o
-1 1 5 902.76 831.99 25.06 o
0 1 5 203.02 296.24 20.42 o
1 1 5 809.30 904.65 21.72 o
2 1 5 1821.34 2017.09 37.78 o
3 1 5 17483.09 18003.96 241.27 o
4 1 5 3095.93 2949.06 52.08 o
-4 2 5 33525.47 34870.82 297.71 o
-3 2 5 32164.37 32752.04 323.50 o
-2 2 5 11392.50 12004.88 158.16 o
-1 2 5 13726.06 14106.03 147.42 o
0 2 5 10194.08 10427.20 81.37 o
1 2 5 13460.27 13324.50 123.64 o
2 2 5 11737.13 12011.08 173.15 o
3 2 5 31461.99 31766.66 276.46 o
4 2 5 33537.80 34423.96 256.12 o
-4 3 5 4683.24 4388.91 53.57 o
-3 3 5 1036.10 1055.24 24.17 o
-2 3 5 17425.51 17054.73 148.18 o
-1 3 5 4846.02 4705.00 47.31 o
0 3 5 28104.46 26257.10 245.82 o
1 3 5 4613.62 4302.74 45.72 o
2 3 5 16565.16 15962.32 200.41 o
3 3 5 1107.28 1258.08 30.01 o
4 3 5 4660.56 4537.98 83.39 o
-4 4 5 6474.11 6336.55 83.63 o
-3 4 5 4521.61 4419.55 50.75 o
-2 4 5 17902.29 18125.24 151.93 o
-1 4 5 24237.49 24372.33 175.60 o
0 4 5 131.26 221.44 18.05 o
1 4 5 24546.03 25071.63 181.17 o
2 4 5 17931.22 17191.37 230.41 o
3 4 5 4830.33 4629.65 84.46 o
4 4 5 6697.07 6474.14 88.38 o
-5 5 5 30703.06 30876.22 252.88 o
-4 5 5 10596.25 10541.73 99.24 o
-3 5 5 7975.35 8268.57 78.23 o
-2 5 5 660.87 702.15 27.23 o
-1 5 5 1007.17 913.23 28.74 o
0 5 5 8658.43 8505.97 100.83 o
1 5 5 996.50 939.91 33.76 o
2 5 5 533.44 484.79 25.69 o
3 5 5 7959.74 7843.88 115.57 o
4 5 5 9997.91 9779.52 119.37 o
5 5 5 30879.82 30857.97 283.94 o
0 0 6 19490.03 18528.02 367.97 o
1 0 6 21995.69 22538.45 423.31 o
2 0 6 1472.21 1554.95 38.05 o
3 0 6 6387.00 6387.21 70.66 o
4 0 6 7558.27 7400.14 82.06 o
5 0 6 15892.14 15869.78 109.69 o
-5 1 6 460.85 504.08 29.58 o
-4 1 6 3884.48 3668.71 52.91 o
-3 1 6 35460.07 34721.55 346.86 o
-2 1 6 4218.94 4407.43 43.24 o
-1 1 6 17817.41 17705.06 296.21 o
0 1 6 45042.07 45930.81 287.67 o
1 1 6 18338.83 17406.72 154.15 o
2 1 6 3948.86 3918.22 90.44 o
3 1 6 36058.31 36199.17 248.48 o
4 1 6 3886.57 3951.91 51.40 o
5 1 6 566.75 798.91 34.40 o
-5 2 6 829.90 1046.04 34.45 o
-4 2 6 11504.75 11777.84 107.36 o
-3 2 6 12666.44 12599.34 118.15 o
-2 2 6 14326.76 15822.66 163.76 o
-1 2 6 11416.03 11313.45 195.62 o
0 2 6 12921.63 11952.25 135.96 o
1 2 6 11390.05 11540.25 150.19 o
2 2 6 14330.97 15020.89 219.15 o
3 2 6 12446.81 12465.54 116.89 o
4 2 6 11155.15 10842.85 128.69 o
5 2 6 887.55 967.45 35.25 o
-5 3 6 4934.27 4745.13 58.60 o
-4 3 6 5800.65 5399.20 53.22 o
-3 3 6 287.71 340.18 23.33 o
-2 3 6 4641.21 4542.80 47.70 o
-1 3 6 4475.07 4722.26 40.62 o
0 3 6 22029.11 23195.10 135.96 o
1 3 6 4595.52 4713.03 62.58 o
2 3 6 4847.68 4236.56 79.25 o
3 3 6 388.77 484.05 24.24 o
4 3 6 5616.27 5900.07 111.96 o
5 3 6 4997.49 5032.13 74.08 o
-5 4 6 7470.17 7402.12 63.55 o
-4 4 6 1790.72 1818.60 33.66 o
-3 4 6 4909.35 4995.94 56.40 o
-2 4 6 4763.35 4962.90 44.53 o
-1 4 6 12800.19 12597.30 123.17 o
0 4 6 30.53 141.00 20.26 o
1 4 6 12361.64 12930.17 104.35 o
2 4 6 4918.27 4829.69 66.80 o
3 4 6 4809.81 4660.28 66.25 o
4 4 6 1915.20 2075.21 40.50 o
5 4 6 7251.99 7457.60 68.12 o
-5 5 6 343.09 321.02 29.93 o
-4 5 6 115.48 135.61 26.09 o
-3 5 6 7773.19 7665.10 98.91 o
-2 5 6 10227.05 10328.65 86.77 o
-1 5 6 24963.64 24961.64 204.85 o
0 5 6 1061.03 936.92 29.87 o
1 5 6 24585.54 25042.45 176.75 o
2 5 6 10061.02 9668.99 108.84 o
3 5 6 7903.88 7844.77 114.58 o
4 5 6 131.61 238.88 32.30 o
5 5 6 338.65 389.01 35.88 o
-6 6 6 12261.95 11224.00 204.43 o
-5 6 6 3017.60 3067.22 58.10 o
-4 6 6 4103.09 4096.78 58.71 o
-3 6 6 386.42 469.58 31.41 o
-2 6 6 2220.05 2315.19 45.22 o
-1 6 6 1516.22 1633.49 41.86 o
0 6 6 8729.19 8159.44 95.81 o
1 6 6 1525.38 1516.95 39.15 o
2 6 6 2198.41 2246.31 46.15 o
3 6 6 309.91 387.54 34.86 o
4 6 6 4198.90 4439.87 70.49 o
5 6 6 3029.15 3044.22 88.68 o
6 6 6 13291.51 12328.20 198.03 o
1 0 7 4132.74 4106.41 63.29 o
2 0 7 2972.43 2793.94 54.27 o
3 0 7 1150.69 1303.69 42.70 o
4 0 7 17534.33 16955.13 148.62 o
5 0 7 3191.32 3378.64 53.67 o
6 0 7 203.88 163.22 28.27 o
-6 1 7 1106.58 990.16 36.45 o
-5 1 7 4904.51 4502.19 66.92 o
-4 1 7 4277.85 4365.51 62.34 o
-3 1 7 36420.18 36223.83 373.38 o
-2 1 7 5296.56 4946.04 62.89 o
-1 1 7 7745.45 7770.72 76.38 o
0 1 7 18403.20 17861.95 195.91 o
1 1 7 7509.26 7236.16 102.89 o
2 1 7 5569.62 5156.37 80.38 o
3 1 7 36078.33 36446.77 325.07 o
4 1 7 4571.84 4457.93 58.15 o
5 1 7 4971.11 4904.13 62.54 o
6 1 7 1139.44 1168.27 40.94 o
-6 2 7 13988.04 13835.27 130.08 o
-5 2 7 5642.59 5585.20 78.10 o
-4 2 7 8163.02 7769.21 87.46 o
-3 2 7 1155.51 1016.87 40.96 o
-2 2 7 6999.36 6963.72 84.30 o
-1 2 7 5990.64 6747.27 82.94 o
0 2 7 14769.03 13958.56 185.13 o
1 2 7 6227.23 6662.64 61.89 o
2 2 7 7443.85 7406.89 99.60 o
3 2 7 1135.53 1061.93 35.42 o
4 2 7 8292.74 8205.24 86.51 o
5 2 7 5710.64 5899.03 71.36 o
6 2 7 14403.61 14477.42 221.79 o
-6 3 7 8834.31 8840.93 85.84 o
-5 3 7 6810.50 6545.24 69.59 o
-4 3 7 316.43 353.42 30.79 o
-3 3 7 9262.53 9416.37 74.33 o
-2 3 7 4067.54 4168.50 52.45 o
-1 3 7 255.95 340.08 25.63 o
0 3 7 6525.69 5902.98 81.35 o
1 3 7 345.51 449.65 26.93 o
2 3 7 4170.61 4052.29 63.62 o
3 3 7 9300.67 8929.62 155.62 o
4 3 7 285.08 381.78 32.30 o
5 3 7 6830.27 6820.26 95.69 o
6 3 7 9193.56 9171.11 152.57 o
-6 4 7 1852.61 1832.45 51.12 o
-5 4 7 5271.01 5171.37 68.15 o
-4 4 7 1932.69 1863.74 45.68 o
-3 4 7 8157.91 8174.80 79.73 o
-2 4 7 8610.37 9354.12 78.28 o
-1 4 7 56.17 169.88 23.70 o
0 4 7 13005.99 12672.53 110.95 o
1 4 7 56.88 125.02 22.81 o
2 4 7 8608.05 9191.22 103.47 o
3 4 7 8680.35 8794.67 102.52 o
4 4 7 1816.00 1857.37 47.18 o
5 4 7 5068.01 4838.63 63.84 o
6 4 7 1709.59 1773.86 51.37 o
-6 5 7 3321.54 3236.11 86.84 o
-5 5 7 4427.45 4217.69 72.88 o
-4 5 7 11868.43 12090.14 141.89 o
-3 5 7 468.54 501.65 32.39 o
-2 5 7 10662.42 10612.17 111.73 o
-1 5 7 8772.71 8500.52 88.21 o
0 5 7 2319.48 2352.63 45.93 o
1 5 7 8725.95 9117.04 146.86 o
2 5 7 10505.01 10418.65 134.60 o
3 5 7 510.89 463.19 35.26 o
4 5 7 12026.90 12535.99 209.32 o
5 5 7 4720.66 4752.37 73.33 o
6 5 7 3370.47 3173.18 64.70 o
-6 6 7 2753.29 2658.71 67.02 o
-5 6 7 2202.19 1899.03 57.64 o
-4 6 7 10766.59 10457.70 128.47 o
-3 6 7 5212.11 4922.19 66.89 o
-2 6 7 5702.80 6095.41 72.51 o
-1 6 7 4364.66 4468.19 60.15 o
0 6 7 3112.69 3085.95 52.56 o
1 6 7 4160.84 4157.98 67.82 o
2 6 7 5689.92 5447.18 75.54 o
3 6 7 5276.65 5178.73 65.88 o
4 6 7 10654.52 10778.25 156.28 o
5 6 7 2132.47 2047.22 59.61 o
6 6 7 2537.80 2429.02 72.32 o
-7 7 7 1831.48 1733.01 108.02 o
-6 7 7 1238.38 1222.34 59.12 o
-5 7 7 980.39 949.60 50.79 o
-4 7 7 2470.41 2533.91 62.38 o
-3 7 7 2069.26 2195.85 54.39 o
-2 7 7 399.57 413.61 35.05 o
-1 7 7 2835.12 2686.22 52.28 o
0 7 7 16866.70 16076.76 167.75 o
1 7 7 2925.01 3035.88 54.48 o
2 7 7 431.10 439.74 33.58 o
3 7 7 2214.06 2201.81 49.80 o
4 7 7 2289.27 2343.31 58.96 o
5 7 7 985.49 989.19 50.97 o
6 7 7 1265.82 1264.57 69.51 o
7 7 7 1553.74 1751.65 135.35 o
0 0 8 922.65 1184.54 47.17 o
1 0 8 459.07 600.49 36.81 o
2 0 8 11477.13 11574.31 159.51 o
3 0 8 5227.03 5047.95 82.05 o
4 0 8 5576.03 5790.35 72.44 o
5 0 8 6.76 73.84 30.64 o
6 0 8 4524.95 4171.56 60.66 o
7 0 8 115.19 164.82 31.87 o
-7 1 8 4974.77 4997.90 70.10 o
-6 1 8 18914.85 18417.81 124.79 o
-5 1 8 36.08 58.67 30.66 o
-4 1 8 8679.89 9059.28 126.52 o
-3 1 8 7725.14 7456.26 83.85 o
-2 1 8 433.21 499.76 40.10 o
-1 1 8 3746.18 3470.50 58.12 o
0 1 8 239.61 435.65 30.29 o
1 1 8 3520.19 3355.11 58.01 o
2 1 8 379.34 390.86 35.14 o
3 1 8 8002.63 7940.42 85.72 o
4 1 8 8528.25 8673.35 106.81 o
5 1 8 41.95 37.70 29.77 o
6 1 8 18460.98 18355.54 153.24 o
7 1 8 4785.87 4865.37 82.72 o
-7 2 8 3940.89 3701.61 65.32 o
-6 2 8 11160.88 11175.73 92.99 o
-5 2 8 3185.40 3244.59 52.95 o
-4 2 8 6420.48 5737.15 76.41 o
-3 2 8 873.45 1071.52 49.07 o
-2 2 8 17928.62 17259.22 232.10 o
-1 2 8 697.31 936.65 34.04 o
0 2 8 10214.68 10066.00 149.11 o
1 2 8 589.04 591.62 36.38 o
2 2 8 17545.71 17544.98 153.14 o
3 2 8 969.73 1031.64 38.01 o
4 2 8 6209.32 5820.42 67.55 o
5 2 8 3223.65 3196.45 56.01 o
6 2 8 11286.61 11572.95 139.31 o
7 2 8 4052.96 3966.85 66.56 o
-7 3 8 2720.36 2854.91 67.29 o
-6 3 8 1483.34 1585.27 50.46 o
-5 3 8 5241.67 5267.51 64.12 o
-4 3 8 4062.86 4219.24 58.78 o
-3 3 8 8050.33 8026.42 85.79 o
-2 3 8 4793.02 4950.59 68.84 o
-1 3 8 7015.80 7100.84 68.44 o
0 3 8 2412.56 2289.78 42.48 o
1 3 8 7062.70 6577.95 63.58 o
2 3 8 4976.84 4983.84 89.91 o
3 3 8 7854.28 7750.70 107.34 o
4 3 8 4185.99 4302.84 61.67 o
5 3 8 5286.06 5441.50 69.51 o
6 3 8 1374.90 1359.07 46.65 o
7 3 8 2847.17 2853.59 61.80 o
-7 4 8 1747.59 1803.72 58.44 o
-6 4 8 4230.26 4171.17 72.00 o
-5 4 8 5556.04 5766.79 74.76 o
-4 4 8 6895.35 7471.69 85.01 o
-3 4 8 15520.10 15456.76 161.03 o
-2 4 8 11009.83 11052.03 128.54 o
-1 4 8 269.23 320.84 33.78 o
0 4 8 3350.53 3485.23 53.59 o
1 4 8 300.54 293.28 29.80 o
2 4 8 10874.83 10722.13 129.81 o
3 4 8 15665.03 15554.99 157.63 o
4 4 8 7032.59 7219.08 123.59 o
5 4 8 5381.95 4987.32 89.82 o
6 4 8 4000.25 3854.34 71.29 o
7 4 8 1821.37 1897.97 58.10 o
-7 5 8 5864.01 5751.62 107.29 o
-6 5 8 4196.90 4258.59 98.58 o
-5 5 8 10163.04 9594.77 141.08 o
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-3 5 8 2716.93 2775.52 57.78 o
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0 5 8 9359.04 9074.77 88.19 o
1 5 8 7989.90 8094.77 82.08 o
2 5 8 1815.94 2002.51 45.94 o
3 5 8 2599.02 2736.38 60.52 o
4 5 8 2922.50 2884.09 63.41 o
5 5 8 9948.54 9779.69 196.19 o
6 5 8 4466.96 4319.89 82.13 o
7 5 8 5880.42 6084.98 97.01 o
-7 6 8 4936.80 4759.66 102.63 o
-6 6 8 278.60 292.25 47.85 o
-5 6 8 3901.44 4117.91 83.67 o
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0 6 8 397.48 385.49 35.04 o
1 6 8 4468.47 4554.19 66.87 o
2 6 8 638.75 711.74 38.59 o
3 6 8 1979.26 2188.96 52.99 o
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5 6 8 3962.03 3794.98 104.97 o
6 6 8 243.46 267.73 43.07 o
7 6 8 5042.31 4938.93 99.59 o
-7 7 8 5177.08 4638.13 113.69 o
-6 7 8 1255.97 1221.32 64.14 o
-5 7 8 11880.09 11825.64 143.66 o
-4 7 8 4687.25 4633.29 93.13 o
-3 7 8 1295.47 1289.91 54.16 o
-2 7 8 2498.15 2606.10 56.76 o
-1 7 8 135.56 154.82 33.15 o
0 7 8 32.48 0.49 32.39 o
1 7 8 87.62 69.42 31.84 o
2 7 8 2619.31 2823.29 58.97 o
3 7 8 1243.94 1194.66 45.93 o
4 7 8 4605.13 4547.07 76.67 o
5 7 8 11363.75 11245.04 173.77 o
6 7 8 1202.32 1340.28 56.55 o
7 7 8 5183.28 5309.16 115.77 o
-8 8 8 2811.10 2903.46 228.07 o
-7 8 8 97.70 100.35 51.90 o
-6 8 8 1414.51 1356.90 72.94 o
-5 8 8 3821.95 3930.64 101.35 o
-4 8 8 3270.59 3326.75 83.83 o
-3 8 8 3844.93 3766.15 87.19 o
-2 8 8 2106.90 2112.04 55.31 o
-1 8 8 3484.67 3433.52 65.84 o
0 8 8 441.40 578.66 41.69 o
1 8 8 3442.04 3636.01 66.01 o
2 8 8 1993.89 1934.55 53.23 o
3 8 8 3671.04 3624.51 67.87 o
4 8 8 3326.85 3440.56 71.72 o
5 8 8 4037.14 4097.70 78.03 o
6 8 8 1381.77 1354.66 60.24 o
7 8 8 112.06 141.79 45.83 o
8 8 8 2699.25 2640.30 123.49 o
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