# generated using pymatgen
data_W48S95N
_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   W48S95N
_chemical_formula_sum   'W48 S95 N1'
_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  0.004583  0.752283  0.506045  1
  W  W2  1  0.083333  0.870385  0.506135  1
  W  W3  1  0.000182  0.500392  0.499946  1
  W  W4  1  0.083333  0.625654  0.502589  1
  W  W5  1  0.162083  0.752283  0.506045  1
  W  W6  1  0.249337  0.874647  0.502365  1
  W  W7  1  0.000031  0.249800  0.498731  1
  W  W8  1  0.083333  0.375032  0.498998  1
  W  W9  1  0.166485  0.500392  0.499946  1
  W  W10  1  0.249719  0.625608  0.500919  1
  W  W11  1  0.332647  0.749977  0.500647  1
  W  W12  1  0.416223  0.874952  0.499516  1
  W  W13  1  0.000455  -0.000570  0.501128  1
  W  W14  1  0.083333  0.124624  0.499541  1
  W  W15  1  0.166636  0.249800  0.498731  1
  W  W16  1  0.249878  0.375072  0.498668  1
  W  W17  1  0.332948  0.500341  0.498867  1
  W  W18  1  0.416440  0.625253  0.498945  1
  W  W19  1  0.499683  0.750259  0.498523  1
  W  W20  1  0.583333  0.875051  0.498532  1
  W  W21  1  0.166212  -0.000570  0.501128  1
  W  W22  1  0.249849  0.124502  0.499144  1
  W  W23  1  0.333212  0.249863  0.498383  1
  W  W24  1  0.416514  0.375110  0.498136  1
  W  W25  1  0.499894  0.500204  0.498151  1
  W  W26  1  0.583333  0.625293  0.498170  1
  W  W27  1  0.666983  0.750259  0.498523  1
  W  W28  1  0.750444  0.874952  0.499516  1
  W  W29  1  0.332993  -0.000385  0.499817  1
  W  W30  1  0.416532  0.124821  0.498624  1
  W  W31  1  0.499938  0.249984  0.498092  1
  W  W32  1  0.583333  0.375093  0.497933  1
  W  W33  1  0.666773  0.500204  0.498151  1
  W  W34  1  0.750227  0.625253  0.498945  1
  W  W35  1  0.834020  0.749977  0.500647  1
  W  W36  1  0.917330  0.874647  0.502365  1
  W  W37  1  0.499893  -0.000088  0.498781  1
  W  W38  1  0.583333  0.124929  0.498373  1
  W  W39  1  0.666729  0.249984  0.498092  1
  W  W40  1  0.750153  0.375110  0.498136  1
  W  W41  1  0.833719  0.500341  0.498867  1
  W  W42  1  0.916948  0.625608  0.500919  1
  W  W43  1  0.666774  -0.000088  0.498781  1
  W  W44  1  0.750134  0.124821  0.498624  1
  W  W45  1  0.833455  0.249863  0.498383  1
  W  W46  1  0.916788  0.375072  0.498668  1
  W  W47  1  0.833673  -0.000385  0.499817  1
  W  W48  1  0.916818  0.124502  0.499144  1
  S  S49  1  0.164269  0.913988  0.392356  1
  S  S50  1  0.083333  0.543149  0.390080  1
  S  S51  1  0.165108  0.669730  0.392344  1
  S  S52  1  0.246065  0.791254  0.392170  1
  S  S53  1  0.331786  0.915944  0.389794  1
  S  S54  1  0.083333  0.291641  0.388138  1
  S  S55  1  0.166441  0.417258  0.388529  1
  S  S56  1  0.249178  0.542809  0.389037  1
  S  S57  1  0.332203  0.667216  0.389400  1
  S  S58  1  0.415232  0.791720  0.388641  1
  S  S59  1  0.499453  0.916505  0.388209  1
  S  S60  1  0.083333  0.040560  0.389818  1
  S  S61  1  0.166494  0.166107  0.388409  1
  S  S62  1  0.249769  0.291644  0.387883  1
  S  S63  1  0.332920  0.417068  0.387852  1
  S  S64  1  0.416157  0.542067  0.387928  1
  S  S65  1  0.499565  0.666956  0.387760  1
  S  S66  1  0.583333  0.791784  0.387742  1
  S  S67  1  0.667214  0.916505  0.388209  1
  S  S68  1  0.249155  0.040504  0.389153  1
  S  S69  1  0.332949  0.166204  0.388021  1
  S  S70  1  0.416421  0.291627  0.387522  1
  S  S71  1  0.499848  0.416858  0.387382  1
  S  S72  1  0.583333  0.541939  0.387471  1
  S  S73  1  0.667101  0.666956  0.387760  1
  S  S74  1  0.751435  0.791720  0.388641  1
  S  S75  1  0.834881  0.915944  0.389794  1
  S  S76  1  0.416077  0.041187  0.388390  1
  S  S77  1  0.499823  0.166427  0.387670  1
  S  S78  1  0.583333  0.291636  0.387346  1
  S  S79  1  0.666819  0.416858  0.387382  1
  S  S80  1  0.750510  0.542067  0.387928  1
  S  S81  1  0.834464  0.667216  0.389400  1
  S  S82  1  0.920602  0.791254  0.392170  1
  S  S83  1  0.002397  0.913988  0.392356  1
  S  S84  1  0.583333  0.041431  0.387941  1
  S  S85  1  0.666844  0.166427  0.387670  1
  S  S86  1  0.750245  0.291627  0.387522  1
  S  S87  1  0.833746  0.417068  0.387852  1
  S  S88  1  0.917488  0.542809  0.389037  1
  S  S89  1  0.001558  0.669730  0.392344  1
  S  S90  1  0.750590  0.041187  0.388390  1
  S  S91  1  0.833718  0.166204  0.388021  1
  S  S92  1  0.916897  0.291644  0.387883  1
  S  S93  1  0.000225  0.417258  0.388529  1
  S  S94  1  0.917512  0.040504  0.389153  1
  S  S95  1  0.000172  0.166107  0.388409  1
  S  S96  1  0.083333  0.791619  0.626817  1
  S  S97  1  0.166387  0.916731  0.613477  1
  S  S98  1  0.083333  0.541412  0.611666  1
  S  S99  1  0.167052  0.666858  0.613438  1
  S  S100  1  0.250091  0.791303  0.613248  1
  S  S101  1  0.333640  0.916687  0.611377  1
  S  S102  1  0.083333  0.291497  0.609458  1
  S  S103  1  0.166705  0.416502  0.609828  1
  S  S104  1  0.250067  0.541708  0.610631  1
  S  S105  1  0.333744  0.666609  0.610800  1
  S  S106  1  0.416794  0.791678  0.610213  1
  S  S107  1  0.500130  0.916647  0.609535  1
  S  S108  1  0.083333  0.041844  0.611294  1
  S  S109  1  0.166748  0.166603  0.609785  1
  S  S110  1  0.250038  0.291596  0.609218  1
  S  S111  1  0.333345  0.416731  0.609163  1
  S  S112  1  0.416737  0.541720  0.609256  1
  S  S113  1  0.500138  0.666883  0.609120  1
  S  S114  1  0.583333  0.791724  0.609060  1
  S  S115  1  0.666536  0.916647  0.609535  1
  S  S116  1  0.250035  0.041571  0.610753  1
  S  S117  1  0.333317  0.166603  0.609335  1
  S  S118  1  0.416653  0.291710  0.608832  1
  S  S119  1  0.500001  0.416762  0.608676  1
  S  S120  1  0.583333  0.541872  0.608760  1
  S  S121  1  0.666528  0.666883  0.609120  1
  S  S122  1  0.749873  0.791678  0.610213  1
  S  S123  1  0.833026  0.916687  0.611377  1
  S  S124  1  0.416761  0.041669  0.609701  1
  S  S125  1  0.500000  0.166714  0.608989  1
  S  S126  1  0.583333  0.291749  0.608672  1
  S  S127  1  0.666665  0.416762  0.608676  1
  S  S128  1  0.749930  0.541720  0.609256  1
  S  S129  1  0.832922  0.666609  0.610800  1
  S  S130  1  0.916576  0.791303  0.613248  1
  S  S131  1  0.000279  0.916731  0.613477  1
  S  S132  1  0.583333  0.041697  0.609293  1
  S  S133  1  0.666667  0.166714  0.608989  1
  S  S134  1  0.750014  0.291710  0.608832  1
  S  S135  1  0.833322  0.416731  0.609163  1
  S  S136  1  0.916600  0.541708  0.610631  1
  S  S137  1  -0.000386  0.666858  0.613438  1
  S  S138  1  0.749905  0.041669  0.609701  1
  S  S139  1  0.833349  0.166603  0.609335  1
  S  S140  1  0.916629  0.291596  0.609218  1
  S  S141  1  -0.000038  0.416502  0.609828  1
  S  S142  1  0.916632  0.041571  0.610753  1
  S  S143  1  -0.000081  0.166603  0.609785  1
  N  N144  1  0.083333  0.791653  0.431660  1
