# generated using pymatgen
data_W47S96N
_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   W47S96N
_chemical_formula_sum   'W47 S96 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  0.086211  0.877782  0.500000  1
  W  W2  1  -0.000562  0.498810  0.500000  1
  W  W3  1  0.079917  0.618708  0.500000  1
  W  W4  1  0.163664  0.754724  0.500000  1
  W  W5  1  0.250945  0.876919  0.500000  1
  W  W6  1  -0.000187  0.248415  0.500000  1
  W  W7  1  0.083985  0.374412  0.500000  1
  W  W8  1  0.165557  0.498327  0.500000  1
  W  W9  1  0.248651  0.626139  0.500000  1
  W  W10  1  0.333301  0.750243  0.500000  1
  W  W11  1  0.417301  0.876122  0.499999  1
  W  W12  1  -0.000172  -0.000591  0.500000  1
  W  W13  1  0.082629  0.124927  0.500000  1
  W  W14  1  0.166541  0.249753  0.500000  1
  W  W15  1  0.248654  0.375389  0.500000  1
  W  W16  1  0.332327  0.500590  0.500001  1
  W  W17  1  0.414720  0.626051  0.500001  1
  W  W18  1  0.499552  0.750724  0.500000  1
  W  W19  1  0.582504  0.875813  0.500000  1
  W  W20  1  0.168176  0.000736  0.499999  1
  W  W21  1  0.251416  0.125906  0.500000  1
  W  W22  1  0.333165  0.249075  0.500000  1
  W  W23  1  0.417697  0.376297  0.500000  1
  W  W24  1  0.499490  0.499639  0.500001  1
  W  W25  1  0.583148  0.625712  0.500000  1
  W  W26  1  0.665642  0.750167  0.500000  1
  W  W27  1  0.749177  0.875566  0.500000  1
  W  W28  1  0.334081  0.000882  0.500000  1
  W  W29  1  0.416035  0.126331  0.500001  1
  W  W30  1  0.500087  0.250524  0.500002  1
  W  W31  1  0.581604  0.376169  0.500000  1
  W  W32  1  0.666432  0.500339  0.500001  1
  W  W33  1  0.749238  0.625367  0.500000  1
  W  W34  1  0.832948  0.750326  0.500000  1
  W  W35  1  0.916133  0.873890  0.500000  1
  W  W36  1  0.500210  -0.000597  0.500000  1
  W  W37  1  0.584280  0.126024  0.500000  1
  W  W38  1  0.666375  0.248750  0.500001  1
  W  W39  1  0.751354  0.375802  0.500000  1
  W  W40  1  0.833835  0.498780  0.500000  1
  W  W41  1  0.914139  0.622490  0.500000  1
  W  W42  1  0.666285  0.000184  0.500001  1
  W  W43  1  0.748881  0.124994  0.500001  1
  W  W44  1  0.832941  0.249386  0.500000  1
  W  W45  1  0.914902  0.374522  0.500000  1
  W  W46  1  0.832361  -0.000986  0.500000  1
  W  W47  1  0.916977  0.124690  0.500000  1
  S  S48  1  0.088908  0.798243  0.384818  1
  S  S49  1  0.168844  0.918890  0.388181  1
  S  S50  1  0.082417  0.538561  0.386986  1
  S  S51  1  0.163163  0.667731  0.390868  1
  S  S52  1  0.250255  0.792851  0.390565  1
  S  S53  1  0.334144  0.917754  0.388991  1
  S  S54  1  0.082941  0.290955  0.389479  1
  S  S55  1  0.166231  0.415964  0.388439  1
  S  S56  1  0.248551  0.542329  0.389990  1
  S  S57  1  0.331529  0.667232  0.388976  1
  S  S58  1  0.416287  0.792461  0.389520  1
  S  S59  1  0.499997  0.916957  0.388529  1
  S  S60  1  0.083381  0.041469  0.389611  1
  S  S61  1  0.166630  0.166364  0.389707  1
  S  S62  1  0.249995  0.291742  0.389773  1
  S  S63  1  0.332824  0.416912  0.389960  1
  S  S64  1  0.415910  0.542321  0.389870  1
  S  S65  1  0.499047  0.667101  0.389811  1
  S  S66  1  0.582846  0.792243  0.389384  1
  S  S67  1  0.666071  0.917057  0.389116  1
  S  S68  1  0.250934  0.042691  0.389291  1
  S  S69  1  0.333592  0.167076  0.388237  1
  S  S70  1  0.416333  0.292319  0.389926  1
  S  S71  1  0.499615  0.417481  0.388158  1
  S  S72  1  0.582848  0.542179  0.389728  1
  S  S73  1  0.666178  0.666880  0.389088  1
  S  S74  1  0.749193  0.792053  0.389893  1
  S  S75  1  0.832988  0.915941  0.389325  1
  S  S76  1  0.417472  0.042549  0.389770  1
  S  S77  1  0.500170  0.167238  0.389585  1
  S  S78  1  0.583474  0.292263  0.389867  1
  S  S79  1  0.666513  0.416663  0.390075  1
  S  S80  1  0.750016  0.541725  0.389684  1
  S  S81  1  0.832361  0.667312  0.389763  1
  S  S82  1  0.915395  0.791261  0.389229  1
  S  S83  1  -0.000310  0.915805  0.390492  1
  S  S84  1  0.583034  0.042287  0.389728  1
  S  S85  1  0.666770  0.166567  0.388263  1
  S  S86  1  0.749522  0.291746  0.390000  1
  S  S87  1  0.833349  0.416623  0.388100  1
  S  S88  1  0.916597  0.540492  0.387491  1
  S  S89  1  -0.001778  0.673962  0.401650  1
  S  S90  1  0.749698  0.041438  0.389386  1
  S  S91  1  0.833043  0.165996  0.389639  1
  S  S92  1  0.916430  0.290800  0.389668  1
  S  S93  1  -0.000727  0.415181  0.389950  1
  S  S94  1  0.916177  0.040974  0.389769  1
  S  S95  1  -0.000272  0.165873  0.388802  1
  S  S96  1  0.088908  0.798243  0.615181  1
  S  S97  1  0.168844  0.918890  0.611818  1
  S  S98  1  0.082417  0.538562  0.613015  1
  S  S99  1  0.163163  0.667732  0.609131  1
  S  S100  1  0.250255  0.792851  0.609434  1
  S  S101  1  0.334144  0.917754  0.611008  1
  S  S102  1  0.082942  0.290955  0.610521  1
  S  S103  1  0.166231  0.415964  0.611561  1
  S  S104  1  0.248551  0.542329  0.610011  1
  S  S105  1  0.331529  0.667232  0.611024  1
  S  S106  1  0.416286  0.792461  0.610479  1
  S  S107  1  0.499996  0.916956  0.611470  1
  S  S108  1  0.083381  0.041468  0.610387  1
  S  S109  1  0.166630  0.166363  0.610291  1
  S  S110  1  0.249994  0.291742  0.610227  1
  S  S111  1  0.332824  0.416911  0.610042  1
  S  S112  1  0.415910  0.542321  0.610130  1
  S  S113  1  0.499047  0.667101  0.610190  1
  S  S114  1  0.582846  0.792243  0.610615  1
  S  S115  1  0.666071  0.917057  0.610883  1
  S  S116  1  0.250934  0.042691  0.610708  1
  S  S117  1  0.333591  0.167076  0.611763  1
  S  S118  1  0.416332  0.292319  0.610074  1
  S  S119  1  0.499615  0.417481  0.611843  1
  S  S120  1  0.582848  0.542180  0.610274  1
  S  S121  1  0.666178  0.666881  0.610911  1
  S  S122  1  0.749193  0.792053  0.610108  1
  S  S123  1  0.832988  0.915941  0.610674  1
  S  S124  1  0.417471  0.042548  0.610229  1
  S  S125  1  0.500172  0.167237  0.610416  1
  S  S126  1  0.583475  0.292265  0.610135  1
  S  S127  1  0.666511  0.416663  0.609926  1
  S  S128  1  0.750016  0.541725  0.610316  1
  S  S129  1  0.832361  0.667312  0.610236  1
  S  S130  1  0.915395  0.791261  0.610771  1
  S  S131  1  -0.000310  0.915805  0.609507  1
  S  S132  1  0.583033  0.042287  0.610271  1
  S  S133  1  0.666770  0.166567  0.611737  1
  S  S134  1  0.749522  0.291746  0.610000  1
  S  S135  1  0.833349  0.416623  0.611900  1
  S  S136  1  0.916597  0.540493  0.612509  1
  S  S137  1  -0.001778  0.673963  0.598348  1
  S  S138  1  0.749699  0.041438  0.610614  1
  S  S139  1  0.833044  0.165996  0.610361  1
  S  S140  1  0.916430  0.290800  0.610332  1
  S  S141  1  -0.000727  0.415181  0.610049  1
  S  S142  1  0.916177  0.040974  0.610230  1
  S  S143  1  -0.000272  0.165872  0.611196  1
  N  N144  1  0.040294  0.708780  0.500000  1
