# 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  0.003599  0.751792  0.505847  1
  W  W2  1  0.083333  0.871389  0.506018  1
  W  W3  1  0.000216  0.499991  0.499831  1
  W  W4  1  0.083333  0.624734  0.502257  1
  W  W5  1  0.163068  0.751792  0.505847  1
  W  W6  1  0.250292  0.875091  0.502077  1
  W  W7  1  0.000073  0.249734  0.498790  1
  W  W8  1  0.083333  0.374919  0.499076  1
  W  W9  1  0.166451  0.499991  0.499831  1
  W  W10  1  0.249380  0.625112  0.500814  1
  W  W11  1  0.332981  0.750464  0.500581  1
  W  W12  1  0.416633  0.875047  0.499524  1
  W  W13  1  -0.000258  -0.000572  0.501171  1
  W  W14  1  0.083333  0.124453  0.499623  1
  W  W15  1  0.166594  0.249734  0.498790  1
  W  W16  1  0.249888  0.375033  0.498620  1
  W  W17  1  0.333086  0.500371  0.498720  1
  W  W18  1  0.416274  0.625385  0.498799  1
  W  W19  1  0.499891  0.750087  0.498430  1
  W  W20  1  0.583333  0.874871  0.498583  1
  W  W21  1  0.166925  -0.000571  0.501171  1
  W  W22  1  0.249834  0.124633  0.499196  1
  W  W23  1  0.333140  0.249934  0.498283  1
  W  W24  1  0.416543  0.375244  0.497914  1
  W  W25  1  0.499870  0.500436  0.497992  1
  W  W26  1  0.583333  0.625407  0.498077  1
  W  W27  1  0.666775  0.750087  0.498430  1
  W  W28  1  0.750034  0.875047  0.499523  1
  W  W29  1  0.333459  -0.000260  0.499859  1
  W  W30  1  0.416605  0.124839  0.498654  1
  W  W31  1  0.499888  0.250032  0.497924  1
  W  W32  1  0.583333  0.375357  0.497675  1
  W  W33  1  0.666796  0.500436  0.497991  1
  W  W34  1  0.750392  0.625385  0.498796  1
  W  W35  1  0.833686  0.750464  0.500579  1
  W  W36  1  0.916375  0.875091  0.502076  1
  W  W37  1  0.499986  -0.000192  0.498955  1
  W  W38  1  0.583333  0.124849  0.498397  1
  W  W39  1  0.666778  0.250032  0.497924  1
  W  W40  1  0.750123  0.375243  0.497914  1
  W  W41  1  0.833581  0.500371  0.498720  1
  W  W42  1  0.917287  0.625112  0.500810  1
  W  W43  1  0.666681  -0.000192  0.498955  1
  W  W44  1  0.750062  0.124839  0.498654  1
  W  W45  1  0.833527  0.249934  0.498283  1
  W  W46  1  0.916778  0.375033  0.498619  1
  W  W47  1  0.833208  -0.000260  0.499859  1
  W  W48  1  0.916833  0.124633  0.499196  1
  S  S49  1  0.165411  0.914526  0.392814  1
  S  S50  1  0.083334  0.542219  0.389587  1
  S  S51  1  0.165062  0.668619  0.392720  1
  S  S52  1  0.247191  0.791829  0.392562  1
  S  S53  1  0.332791  0.916366  0.389369  1
  S  S54  1  0.083334  0.291550  0.388180  1
  S  S55  1  0.166387  0.416938  0.388388  1
  S  S56  1  0.249124  0.542272  0.388873  1
  S  S57  1  0.331989  0.667316  0.389299  1
  S  S58  1  0.415820  0.791923  0.388530  1
  S  S59  1  0.499759  0.916498  0.388048  1
  S  S60  1  0.083334  0.040352  0.389924  1
  S  S61  1  0.166440  0.166009  0.388427  1
  S  S62  1  0.249643  0.291596  0.387876  1
  S  S63  1  0.332848  0.417103  0.387755  1
  S  S64  1  0.416079  0.542246  0.387692  1
  S  S65  1  0.499518  0.666954  0.387479  1
  S  S66  1  0.583333  0.791691  0.387445  1
  S  S67  1  0.666907  0.916498  0.388047  1
  S  S68  1  0.249757  0.040744  0.389171  1
  S  S69  1  0.332970  0.166194  0.388066  1
  S  S70  1  0.416347  0.291697  0.387513  1
  S  S71  1  0.499793  0.417121  0.387256  1
  S  S72  1  0.583333  0.542153  0.387282  1
  S  S73  1  0.667148  0.666954  0.387479  1
  S  S74  1  0.750847  0.791923  0.388529  1
  S  S75  1  0.833876  0.916367  0.389368  1
  S  S76  1  0.416429  0.041224  0.388322  1
  S  S77  1  0.499856  0.166364  0.387727  1
  S  S78  1  0.583333  0.291756  0.387421  1
  S  S79  1  0.666873  0.417121  0.387256  1
  S  S80  1  0.750588  0.542246  0.387691  1
  S  S81  1  0.834676  0.667316  0.389295  1
  S  S82  1  0.919476  0.791829  0.392561  1
  S  S83  1  0.001255  0.914525  0.392813  1
  S  S84  1  0.583333  0.041275  0.388030  1
  S  S85  1  0.666811  0.166364  0.387727  1
  S  S86  1  0.750320  0.291697  0.387513  1
  S  S87  1  0.833818  0.417103  0.387755  1
  S  S88  1  0.917542  0.542271  0.388870  1
  S  S89  1  0.001605  0.668619  0.392718  1
  S  S90  1  0.750238  0.041224  0.388322  1
  S  S91  1  0.833697  0.166194  0.388067  1
  S  S92  1  0.917024  0.291595  0.387876  1
  S  S93  1  0.000279  0.416938  0.388386  1
  S  S94  1  0.916910  0.040744  0.389171  1
  S  S95  1  0.000227  0.166009  0.388428  1
  S  S96  1  0.083333  0.791613  0.627541  1
  S  S97  1  0.167274  0.916995  0.613120  1
  S  S98  1  0.083333  0.540670  0.611808  1
  S  S99  1  0.166918  0.666067  0.613002  1
  S  S100  1  0.250817  0.791756  0.612817  1
  S  S101  1  0.334410  0.916966  0.611643  1
  S  S102  1  0.083333  0.291406  0.609564  1
  S  S103  1  0.166749  0.416284  0.609961  1
  S  S104  1  0.250049  0.541281  0.610515  1
  S  S105  1  0.333412  0.666736  0.610603  1
  S  S106  1  0.417276  0.791757  0.610193  1
  S  S107  1  0.500396  0.916543  0.609887  1
  S  S108  1  0.083334  0.041482  0.611232  1
  S  S109  1  0.166707  0.166505  0.609962  1
  S  S110  1  0.250006  0.291579  0.609174  1
  S  S111  1  0.333393  0.416778  0.609002  1
  S  S112  1  0.416669  0.541914  0.609235  1
  S  S113  1  0.500055  0.666848  0.609227  1
  S  S114  1  0.583334  0.791543  0.609254  1
  S  S115  1  0.666271  0.916543  0.609887  1
  S  S116  1  0.250524  0.041747  0.610812  1
  S  S117  1  0.333358  0.166690  0.609294  1
  S  S118  1  0.416622  0.291836  0.608477  1
  S  S119  1  0.499978  0.416986  0.608361  1
  S  S120  1  0.583333  0.542033  0.608658  1
  S  S121  1  0.666613  0.666848  0.609226  1
  S  S122  1  0.749390  0.791757  0.610191  1
  S  S123  1  0.832257  0.916966  0.611643  1
  S  S124  1  0.417042  0.041761  0.609965  1
  S  S125  1  0.500036  0.166775  0.608848  1
  S  S126  1  0.583333  0.291912  0.608162  1
  S  S127  1  0.666689  0.416985  0.608361  1
  S  S128  1  0.749998  0.541915  0.609233  1
  S  S129  1  0.833254  0.666736  0.610599  1
  S  S130  1  0.915849  0.791756  0.612816  1
  S  S131  1  -0.000607  0.916996  0.613119  1
  S  S132  1  0.583333  0.041633  0.609468  1
  S  S133  1  0.666631  0.166775  0.608848  1
  S  S134  1  0.750044  0.291836  0.608477  1
  S  S135  1  0.833274  0.416779  0.609001  1
  S  S136  1  0.916618  0.541282  0.610513  1
  S  S137  1  -0.000253  0.666067  0.613001  1
  S  S138  1  0.749625  0.041761  0.609964  1
  S  S139  1  0.833309  0.166690  0.609294  1
  S  S140  1  0.916661  0.291579  0.609174  1
  S  S141  1  -0.000083  0.416284  0.609960  1
  S  S142  1  0.916144  0.041747  0.610811  1
  S  S143  1  -0.000040  0.166505  0.609962  1
  N  N144  1  0.083333  0.791676  0.438854  1
