# generated using pymatgen
data_SbW48S95
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbW48S95
_chemical_formula_sum   'Sb1 W48 S95'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sb  Sb1  1  0.083333  0.791612  0.352922  1
  W  W2  1  -0.001175  0.749367  0.497887  1
  W  W3  1  0.083333  0.876131  0.497923  1
  W  W4  1  0.000008  0.499494  0.500496  1
  W  W5  1  0.083333  0.624286  0.499337  1
  W  W6  1  0.167842  0.749367  0.497887  1
  W  W7  1  0.250613  0.875312  0.499314  1
  W  W8  1  -0.000034  0.249773  0.500524  1
  W  W9  1  0.083333  0.374585  0.500482  1
  W  W10  1  0.166659  0.499494  0.500496  1
  W  W11  1  0.250131  0.624526  0.500665  1
  W  W12  1  0.333805  0.750140  0.500687  1
  W  W13  1  0.416973  0.875292  0.500608  1
  W  W14  1  -0.000365  0.000255  0.500706  1
  W  W15  1  0.083333  0.124914  0.500810  1
  W  W16  1  0.166700  0.249773  0.500524  1
  W  W17  1  0.250013  0.374717  0.500411  1
  W  W18  1  0.333330  0.499771  0.500603  1
  W  W19  1  0.416709  0.625031  0.500875  1
  W  W20  1  0.500113  0.750243  0.501028  1
  W  W21  1  0.583333  0.875295  0.500915  1
  W  W22  1  0.167032  0.000255  0.500706  1
  W  W23  1  0.250217  0.125023  0.500636  1
  W  W24  1  0.333424  0.249965  0.500191  1
  W  W25  1  0.416699  0.374965  0.500062  1
  W  W26  1  0.500001  0.500050  0.500444  1
  W  W27  1  0.583333  0.625125  0.500938  1
  W  W28  1  0.666554  0.750243  0.501028  1
  W  W29  1  0.749694  0.875292  0.500608  1
  W  W30  1  0.333695  0.000224  0.500486  1
  W  W31  1  0.416829  0.125166  0.500241  1
  W  W32  1  0.500051  0.250125  0.499727  1
  W  W33  1  0.583333  0.375093  0.499810  1
  W  W34  1  0.666665  0.500050  0.500444  1
  W  W35  1  0.749957  0.625031  0.500875  1
  W  W36  1  0.832861  0.750140  0.500687  1
  W  W37  1  0.916054  0.875312  0.499314  1
  W  W38  1  0.500145  0.000285  0.500490  1
  W  W39  1  0.583333  0.125221  0.499981  1
  W  W40  1  0.666615  0.250125  0.499727  1
  W  W41  1  0.749968  0.374965  0.500062  1
  W  W42  1  0.833336  0.499771  0.500603  1
  W  W43  1  0.916535  0.624526  0.500665  1
  W  W44  1  0.666522  0.000285  0.500490  1
  W  W45  1  0.749838  0.125166  0.500241  1
  W  W46  1  0.833243  0.249965  0.500191  1
  W  W47  1  0.916654  0.374717  0.500411  1
  W  W48  1  0.832971  0.000224  0.500486  1
  W  W49  1  0.916450  0.125023  0.500636  1
  S  S50  1  0.167411  0.917451  0.388637  1
  S  S51  1  0.083333  0.540779  0.389383  1
  S  S52  1  0.167106  0.665612  0.388632  1
  S  S53  1  0.251208  0.791808  0.388594  1
  S  S54  1  0.334090  0.917068  0.389358  1
  S  S55  1  0.083333  0.291310  0.389751  1
  S  S56  1  0.166637  0.416254  0.389725  1
  S  S57  1  0.250019  0.541304  0.389887  1
  S  S58  1  0.333490  0.666599  0.390157  1
  S  S59  1  0.417036  0.791842  0.390019  1
  S  S60  1  0.500247  0.916870  0.389920  1
  S  S61  1  0.083333  0.041698  0.390161  1
  S  S62  1  0.166674  0.166438  0.389982  1
  S  S63  1  0.249908  0.291463  0.389619  1
  S  S64  1  0.333207  0.416602  0.389632  1
  S  S65  1  0.416590  0.541778  0.390001  1
  S  S66  1  0.500053  0.666869  0.390334  1
  S  S67  1  0.583333  0.791885  0.390309  1
  S  S68  1  0.666420  0.916870  0.389920  1
  S  S69  1  0.250243  0.041795  0.389865  1
  S  S70  1  0.333336  0.166625  0.389595  1
  S  S71  1  0.416559  0.291720  0.389184  1
  S  S72  1  0.499921  0.416903  0.389330  1
  S  S73  1  0.583333  0.541941  0.389930  1
  S  S74  1  0.666614  0.666869  0.390334  1
  S  S75  1  0.749631  0.791842  0.390019  1
  S  S76  1  0.832577  0.917068  0.389358  1
  S  S77  1  0.416877  0.041819  0.389635  1
  S  S78  1  0.499981  0.166731  0.389153  1
  S  S79  1  0.583333  0.291835  0.388898  1
  S  S80  1  0.666746  0.416903  0.389330  1
  S  S81  1  0.750076  0.541778  0.390001  1
  S  S82  1  0.833177  0.666599  0.390157  1
  S  S83  1  0.915459  0.791808  0.388594  1
  S  S84  1  -0.000745  0.917451  0.388637  1
  S  S85  1  0.583333  0.041785  0.389497  1
  S  S86  1  0.666686  0.166731  0.389153  1
  S  S87  1  0.750108  0.291720  0.389184  1
  S  S88  1  0.833460  0.416602  0.389632  1
  S  S89  1  0.916648  0.541304  0.389887  1
  S  S90  1  -0.000439  0.665612  0.388632  1
  S  S91  1  0.749790  0.041819  0.389635  1
  S  S92  1  0.833331  0.166625  0.389595  1
  S  S93  1  0.916759  0.291463  0.389619  1
  S  S94  1  0.000030  0.416254  0.389725  1
  S  S95  1  0.916424  0.041795  0.389865  1
  S  S96  1  -0.000007  0.166438  0.389982  1
  S  S97  1  0.083333  0.791603  0.604893  1
  S  S98  1  0.167048  0.916378  0.610074  1
  S  S99  1  0.083333  0.541462  0.610953  1
  S  S100  1  0.166249  0.666430  0.610038  1
  S  S101  1  0.249930  0.792058  0.610004  1
  S  S102  1  0.333345  0.916773  0.610983  1
  S  S103  1  0.083333  0.291350  0.611260  1
  S  S104  1  0.166658  0.416264  0.611222  1
  S  S105  1  0.249923  0.541298  0.611362  1
  S  S106  1  0.333241  0.666700  0.611373  1
  S  S107  1  0.416735  0.791978  0.611555  1
  S  S108  1  0.500033  0.917052  0.611468  1
  S  S109  1  0.083333  0.041518  0.611418  1
  S  S110  1  0.166775  0.166541  0.611405  1
  S  S111  1  0.250111  0.291445  0.611109  1
  S  S112  1  0.333418  0.416383  0.611085  1
  S  S113  1  0.416656  0.541562  0.611325  1
  S  S114  1  0.499974  0.666783  0.611642  1
  S  S115  1  0.583333  0.791957  0.611782  1
  S  S116  1  0.666634  0.917052  0.611468  1
  S  S117  1  0.250336  0.041720  0.611430  1
  S  S118  1  0.333599  0.166783  0.611126  1
  S  S119  1  0.416849  0.291662  0.610691  1
  S  S120  1  0.500067  0.416580  0.610771  1
  S  S121  1  0.583333  0.541609  0.611307  1
  S  S122  1  0.666693  0.666783  0.611642  1
  S  S123  1  0.749932  0.791978  0.611555  1
  S  S124  1  0.833322  0.916773  0.610983  1
  S  S125  1  0.416866  0.041947  0.611202  1
  S  S126  1  0.500146  0.166965  0.610705  1
  S  S127  1  0.583333  0.291781  0.610412  1
  S  S128  1  0.666600  0.416580  0.610771  1
  S  S129  1  0.750011  0.541562  0.611325  1
  S  S130  1  0.833426  0.666700  0.611373  1
  S  S131  1  0.916737  0.792058  0.610004  1
  S  S132  1  -0.000381  0.916378  0.610074  1
  S  S133  1  0.583333  0.042102  0.611115  1
  S  S134  1  0.666520  0.166965  0.610705  1
  S  S135  1  0.749818  0.291662  0.610691  1
  S  S136  1  0.833249  0.416383  0.611085  1
  S  S137  1  0.916743  0.541298  0.611362  1
  S  S138  1  0.000418  0.666430  0.610037  1
  S  S139  1  0.749800  0.041947  0.611202  1
  S  S140  1  0.833068  0.166783  0.611126  1
  S  S141  1  0.916556  0.291445  0.611109  1
  S  S142  1  0.000009  0.416264  0.611222  1
  S  S143  1  0.916330  0.041720  0.611430  1
  S  S144  1  -0.000108  0.166541  0.611405  1
