# generated using pymatgen
data_W47S96
_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   W47S96
_chemical_formula_sum   'W47 S96'
_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
  W  W1  1  0.086127  0.874063  0.500001  1
  W  W2  1  -0.000000  0.498318  0.500002  1
  W  W3  1  0.080970  0.623313  0.500001  1
  W  W4  1  0.167014  0.752619  0.500001  1
  W  W5  1  0.251475  0.875836  0.500001  1
  W  W6  1  -0.000000  0.249506  0.500001  1
  W  W7  1  0.083352  0.374229  0.500002  1
  W  W8  1  0.167287  0.498912  0.500002  1
  W  W9  1  0.249068  0.625431  0.500002  1
  W  W10  1  0.334481  0.750061  0.500002  1
  W  W11  1  0.417036  0.875368  0.500001  1
  W  W12  1  -0.000000  -0.000956  0.500001  1
  W  W13  1  0.083308  0.124644  0.500001  1
  W  W14  1  0.166761  0.249684  0.500001  1
  W  W15  1  0.250151  0.374613  0.500002  1
  W  W16  1  0.333188  0.500124  0.500000  1
  W  W17  1  0.416485  0.625042  0.500002  1
  W  W18  1  0.500000  0.750104  0.500002  1
  W  W19  1  0.582964  0.875368  0.500001  1
  W  W20  1  0.167369  0.000965  0.500001  1
  W  W21  1  0.250326  0.125264  0.500001  1
  W  W22  1  0.333473  0.250086  0.500001  1
  W  W23  1  0.416682  0.375147  0.500001  1
  W  W24  1  0.500000  0.500088  0.500002  1
  W  W25  1  0.583515  0.625042  0.500002  1
  W  W26  1  0.665519  0.750061  0.500002  1
  W  W27  1  0.748525  0.875835  0.500002  1
  W  W28  1  0.333883  0.000426  0.500000  1
  W  W29  1  0.416801  0.125337  0.500001  1
  W  W30  1  0.500000  0.250268  0.500001  1
  W  W31  1  0.583318  0.375147  0.500002  1
  W  W32  1  0.666812  0.500124  0.500001  1
  W  W33  1  0.750932  0.625431  0.500002  1
  W  W34  1  0.832985  0.752619  0.500001  1
  W  W35  1  0.913873  0.874063  0.500001  1
  W  W36  1  0.500000  0.000373  0.500002  1
  W  W37  1  0.583199  0.125337  0.500001  1
  W  W38  1  0.666527  0.250086  0.500002  1
  W  W39  1  0.749849  0.374613  0.500002  1
  W  W40  1  0.832713  0.498912  0.500002  1
  W  W41  1  0.919030  0.623313  0.500001  1
  W  W42  1  0.666117  0.000426  0.500001  1
  W  W43  1  0.749674  0.125264  0.500002  1
  W  W44  1  0.833239  0.249684  0.500002  1
  W  W45  1  0.916648  0.374229  0.500002  1
  W  W46  1  0.832632  0.000965  0.500001  1
  W  W47  1  0.916692  0.124644  0.500002  1
  S  S48  1  0.087092  0.793617  0.389124  1
  S  S49  1  0.168375  0.917919  0.389471  1
  S  S50  1  0.083677  0.539665  0.389517  1
  S  S51  1  0.164704  0.667628  0.390658  1
  S  S52  1  0.251962  0.792412  0.389497  1
  S  S53  1  0.334205  0.917272  0.388860  1
  S  S54  1  0.083373  0.291068  0.389167  1
  S  S55  1  0.166830  0.415800  0.389125  1
  S  S56  1  0.249786  0.541879  0.389263  1
  S  S57  1  0.332961  0.666686  0.389280  1
  S  S58  1  0.417215  0.791961  0.389061  1
  S  S59  1  0.500000  0.917077  0.389069  1
  S  S60  1  0.083188  0.041293  0.389206  1
  S  S61  1  0.166657  0.166446  0.389209  1
  S  S62  1  0.250092  0.291421  0.389162  1
  S  S63  1  0.333325  0.416739  0.389254  1
  S  S64  1  0.416596  0.541714  0.389276  1
  S  S65  1  0.500000  0.666578  0.389276  1
  S  S66  1  0.582784  0.791961  0.389061  1
  S  S67  1  0.665795  0.917272  0.388859  1
  S  S68  1  0.250669  0.042201  0.389078  1
  S  S69  1  0.333530  0.166907  0.389134  1
  S  S70  1  0.416705  0.291871  0.389202  1
  S  S71  1  0.500000  0.416801  0.389214  1
  S  S72  1  0.583404  0.541714  0.389276  1
  S  S73  1  0.667038  0.666686  0.389279  1
  S  S74  1  0.748038  0.792412  0.389497  1
  S  S75  1  0.831625  0.917919  0.389471  1
  S  S76  1  0.416934  0.042112  0.389109  1
  S  S77  1  0.500000  0.167018  0.389176  1
  S  S78  1  0.583295  0.291871  0.389202  1
  S  S79  1  0.666675  0.416739  0.389253  1
  S  S80  1  0.750214  0.541879  0.389262  1
  S  S81  1  0.835296  0.667628  0.390658  1
  S  S82  1  0.912908  0.793617  0.389124  1
  S  S83  1  0.000000  0.914719  0.390614  1
  S  S84  1  0.583066  0.042112  0.389109  1
  S  S85  1  0.666470  0.166907  0.389133  1
  S  S86  1  0.749908  0.291421  0.389162  1
  S  S87  1  0.833170  0.415800  0.389125  1
  S  S88  1  0.916323  0.539665  0.389517  1
  S  S89  1  -0.000000  0.662829  0.389211  1
  S  S90  1  0.749331  0.042201  0.389078  1
  S  S91  1  0.833343  0.166446  0.389208  1
  S  S92  1  0.916627  0.291068  0.389167  1
  S  S93  1  0.000000  0.415499  0.388901  1
  S  S94  1  0.916812  0.041293  0.389206  1
  S  S95  1  0.000000  0.166265  0.389220  1
  S  S96  1  0.087092  0.793617  0.610875  1
  S  S97  1  0.168375  0.917919  0.610528  1
  S  S98  1  0.083677  0.539665  0.610481  1
  S  S99  1  0.164704  0.667628  0.609341  1
  S  S100  1  0.251962  0.792412  0.610502  1
  S  S101  1  0.334205  0.917272  0.611139  1
  S  S102  1  0.083373  0.291068  0.610832  1
  S  S103  1  0.166830  0.415800  0.610874  1
  S  S104  1  0.249786  0.541879  0.610736  1
  S  S105  1  0.332962  0.666686  0.610719  1
  S  S106  1  0.417215  0.791961  0.610937  1
  S  S107  1  0.500000  0.917076  0.610930  1
  S  S108  1  0.083188  0.041293  0.610793  1
  S  S109  1  0.166657  0.166446  0.610790  1
  S  S110  1  0.250092  0.291421  0.610837  1
  S  S111  1  0.333325  0.416739  0.610745  1
  S  S112  1  0.416596  0.541714  0.610722  1
  S  S113  1  0.500000  0.666578  0.610722  1
  S  S114  1  0.582785  0.791961  0.610937  1
  S  S115  1  0.665795  0.917272  0.611139  1
  S  S116  1  0.250669  0.042201  0.610921  1
  S  S117  1  0.333530  0.166907  0.610866  1
  S  S118  1  0.416705  0.291871  0.610797  1
  S  S119  1  0.500000  0.416801  0.610785  1
  S  S120  1  0.583404  0.541714  0.610722  1
  S  S121  1  0.667038  0.666686  0.610719  1
  S  S122  1  0.748038  0.792412  0.610501  1
  S  S123  1  0.831625  0.917919  0.610528  1
  S  S124  1  0.416934  0.042112  0.610890  1
  S  S125  1  0.500000  0.167018  0.610823  1
  S  S126  1  0.583295  0.291871  0.610797  1
  S  S127  1  0.666675  0.416739  0.610745  1
  S  S128  1  0.750214  0.541879  0.610736  1
  S  S129  1  0.835296  0.667628  0.609341  1
  S  S130  1  0.912908  0.793617  0.610875  1
  S  S131  1  -0.000000  0.914719  0.609385  1
  S  S132  1  0.583066  0.042112  0.610890  1
  S  S133  1  0.666470  0.166907  0.610865  1
  S  S134  1  0.749908  0.291421  0.610837  1
  S  S135  1  0.833170  0.415800  0.610873  1
  S  S136  1  0.916323  0.539665  0.610481  1
  S  S137  1  -0.000000  0.662829  0.610788  1
  S  S138  1  0.749331  0.042201  0.610921  1
  S  S139  1  0.833343  0.166446  0.610790  1
  S  S140  1  0.916627  0.291068  0.610831  1
  S  S141  1  -0.000000  0.415499  0.611097  1
  S  S142  1  0.916812  0.041293  0.610792  1
  S  S143  1  -0.000000  0.166265  0.610779  1
