# 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  0.791744  0.346185  1
  W  W2  1  0.002071  0.750720  0.502633  1
  W  W3  1  0.083333  0.873391  0.502427  1
  W  W4  1  -0.000117  0.500159  0.500218  1
  W  W5  1  0.083333  0.626168  0.501543  1
  W  W6  1  0.164595  0.750720  0.502633  1
  W  W7  1  0.248849  0.874512  0.501448  1
  W  W8  1  0.000013  0.250158  0.499987  1
  W  W9  1  0.083333  0.375526  0.499991  1
  W  W10  1  0.166784  0.500159  0.500218  1
  W  W11  1  0.250206  0.625019  0.500238  1
  W  W12  1  0.333461  0.749799  0.500215  1
  W  W13  1  0.416751  0.874773  0.500156  1
  W  W14  1  0.000118  0.000198  0.500286  1
  W  W15  1  0.083333  0.125443  0.500155  1
  W  W16  1  0.166654  0.250158  0.499986  1
  W  W17  1  0.249789  0.375297  0.499991  1
  W  W18  1  0.333364  0.500204  0.499961  1
  W  W19  1  0.417040  0.624818  0.500145  1
  W  W20  1  0.499876  0.749830  0.499964  1
  W  W21  1  0.583333  0.874883  0.499993  1
  W  W22  1  0.166549  0.000198  0.500286  1
  W  W23  1  0.249771  0.124991  0.499980  1
  W  W24  1  0.333246  0.250135  0.499922  1
  W  W25  1  0.416716  0.375012  0.499956  1
  W  W26  1  0.499864  0.500013  0.500011  1
  W  W27  1  0.583333  0.624977  0.500029  1
  W  W28  1  0.666791  0.749830  0.499964  1
  W  W29  1  0.749916  0.874773  0.500156  1
  W  W30  1  0.333213  -0.000011  0.500221  1
  W  W31  1  0.416572  0.124740  0.499996  1
  W  W32  1  0.499800  0.249915  0.499958  1
  W  W33  1  0.583333  0.374991  0.500009  1
  W  W34  1  0.666802  0.500013  0.500011  1
  W  W35  1  0.749626  0.624818  0.500145  1
  W  W36  1  0.833206  0.749799  0.500215  1
  W  W37  1  0.917817  0.874512  0.501448  1
  W  W38  1  0.499693  -0.000325  0.499948  1
  W  W39  1  0.583333  0.124812  0.499944  1
  W  W40  1  0.666867  0.249915  0.499958  1
  W  W41  1  0.749951  0.375012  0.499956  1
  W  W42  1  0.833302  0.500204  0.499961  1
  W  W43  1  0.916461  0.625019  0.500238  1
  W  W44  1  0.666973  -0.000325  0.499948  1
  W  W45  1  0.750095  0.124740  0.499996  1
  W  W46  1  0.833420  0.250135  0.499922  1
  W  W47  1  0.916878  0.375297  0.499991  1
  W  W48  1  0.833454  -0.000011  0.500221  1
  W  W49  1  0.916896  0.124991  0.499981  1
  S  S50  1  0.166368  0.916134  0.390749  1
  S  S51  1  0.083333  0.542758  0.390288  1
  S  S52  1  0.166171  0.667140  0.390789  1
  S  S53  1  0.249060  0.791723  0.390915  1
  S  S54  1  0.332386  0.916090  0.390259  1
  S  S55  1  0.083333  0.292064  0.389484  1
  S  S56  1  0.166537  0.417067  0.389246  1
  S  S57  1  0.249891  0.541724  0.389342  1
  S  S58  1  0.333520  0.666561  0.389486  1
  S  S59  1  0.416658  0.791670  0.389263  1
  S  S60  1  0.499844  0.916464  0.389215  1
  S  S61  1  0.083333  0.041903  0.389585  1
  S  S62  1  0.166581  0.166801  0.389308  1
  S  S63  1  0.249943  0.291862  0.389367  1
  S  S64  1  0.333295  0.416851  0.389445  1
  S  S65  1  0.416697  0.541715  0.389225  1
  S  S66  1  0.500022  0.666579  0.389209  1
  S  S67  1  0.583333  0.791465  0.389315  1
  S  S68  1  0.666822  0.916464  0.389215  1
  S  S69  1  0.250043  0.041569  0.389424  1
  S  S70  1  0.333186  0.166587  0.389500  1
  S  S71  1  0.416567  0.291700  0.389331  1
  S  S72  1  0.500008  0.416680  0.389387  1
  S  S73  1  0.583333  0.541623  0.389455  1
  S  S74  1  0.666645  0.666579  0.389209  1
  S  S75  1  0.750009  0.791670  0.389263  1
  S  S76  1  0.834281  0.916090  0.390259  1
  S  S77  1  0.416454  0.041379  0.389313  1
  S  S78  1  0.499933  0.166499  0.389466  1
  S  S79  1  0.583333  0.291557  0.389584  1
  S  S80  1  0.666659  0.416680  0.389387  1
  S  S81  1  0.749970  0.541715  0.389225  1
  S  S82  1  0.833147  0.666561  0.389486  1
  S  S83  1  0.917606  0.791723  0.390915  1
  S  S84  1  0.000298  0.916134  0.390749  1
  S  S85  1  0.583333  0.041263  0.389525  1
  S  S86  1  0.666734  0.166499  0.389466  1
  S  S87  1  0.750100  0.291700  0.389331  1
  S  S88  1  0.833372  0.416851  0.389445  1
  S  S89  1  0.916776  0.541724  0.389342  1
  S  S90  1  0.000495  0.667140  0.390789  1
  S  S91  1  0.750213  0.041379  0.389313  1
  S  S92  1  0.833481  0.166587  0.389500  1
  S  S93  1  0.916724  0.291862  0.389367  1
  S  S94  1  0.000130  0.417067  0.389246  1
  S  S95  1  0.916624  0.041569  0.389424  1
  S  S96  1  0.000086  0.166801  0.389308  1
  S  S97  1  0.083333  0.791768  0.614144  1
  S  S98  1  0.166033  0.917163  0.612245  1
  S  S99  1  0.083333  0.541968  0.610934  1
  S  S100  1  0.167543  0.666915  0.612313  1
  S  S101  1  0.250061  0.790879  0.612102  1
  S  S102  1  0.333134  0.916445  0.610833  1
  S  S103  1  0.083333  0.292007  0.610454  1
  S  S104  1  0.166673  0.416926  0.610910  1
  S  S105  1  0.250096  0.541603  0.611032  1
  S  S106  1  0.333663  0.666520  0.610828  1
  S  S107  1  0.416822  0.791589  0.611016  1
  S  S108  1  0.500005  0.916459  0.610834  1
  S  S109  1  0.083333  0.042035  0.610859  1
  S  S110  1  0.166631  0.166866  0.610839  1
  S  S111  1  0.249957  0.291859  0.610530  1
  S  S112  1  0.333305  0.416826  0.610471  1
  S  S113  1  0.416709  0.541672  0.610916  1
  S  S114  1  0.500047  0.666603  0.610915  1
  S  S115  1  0.583333  0.791479  0.610558  1
  S  S116  1  0.666661  0.916459  0.610834  1
  S  S117  1  0.250062  0.041784  0.611007  1
  S  S118  1  0.333198  0.166639  0.610416  1
  S  S119  1  0.416555  0.291697  0.610570  1
  S  S120  1  0.499993  0.416656  0.610596  1
  S  S121  1  0.583333  0.541613  0.610605  1
  S  S122  1  0.666620  0.666603  0.610915  1
  S  S123  1  0.749845  0.791589  0.611016  1
  S  S124  1  0.833533  0.916445  0.610833  1
  S  S125  1  0.416550  0.041515  0.610830  1
  S  S126  1  0.499976  0.166504  0.610456  1
  S  S127  1  0.583333  0.291535  0.610384  1
  S  S128  1  0.666674  0.416656  0.610596  1
  S  S129  1  0.749958  0.541672  0.610916  1
  S  S130  1  0.833003  0.666520  0.610828  1
  S  S131  1  0.916606  0.790879  0.612102  1
  S  S132  1  0.000634  0.917163  0.612245  1
  S  S133  1  0.583333  0.041322  0.610294  1
  S  S134  1  0.666691  0.166504  0.610456  1
  S  S135  1  0.750111  0.291697  0.610570  1
  S  S136  1  0.833362  0.416826  0.610471  1
  S  S137  1  0.916571  0.541603  0.611032  1
  S  S138  1  -0.000876  0.666915  0.612313  1
  S  S139  1  0.750117  0.041515  0.610830  1
  S  S140  1  0.833468  0.166638  0.610416  1
  S  S141  1  0.916710  0.291859  0.610530  1
  S  S142  1  -0.000006  0.416926  0.610910  1
  S  S143  1  0.916605  0.041784  0.611007  1
  S  S144  1  0.000036  0.166866  0.610839  1
