# 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  0.003640  0.751758  0.505583  1
  W  W2  1  0.083333  0.871340  0.505635  1
  W  W3  1  0.000109  0.499680  0.499770  1
  W  W4  1  0.083333  0.624559  0.502071  1
  W  W5  1  0.163026  0.751758  0.505583  1
  W  W6  1  0.250369  0.875175  0.501989  1
  W  W7  1  -0.000030  0.249905  0.498954  1
  W  W8  1  0.083334  0.374760  0.499170  1
  W  W9  1  0.166557  0.499680  0.499770  1
  W  W10  1  0.249525  0.624906  0.500657  1
  W  W11  1  0.333100  0.750332  0.500482  1
  W  W12  1  0.416804  0.875191  0.499465  1
  W  W13  1  -0.000295  -0.000300  0.500981  1
  W  W14  1  0.083333  0.124774  0.499584  1
  W  W15  1  0.166697  0.249904  0.498953  1
  W  W16  1  0.250036  0.374880  0.498763  1
  W  W17  1  0.333333  0.499932  0.498761  1
  W  W18  1  0.416434  0.625079  0.498809  1
  W  W19  1  0.500024  0.749989  0.498469  1
  W  W20  1  0.583333  0.875049  0.498572  1
  W  W21  1  0.166962  -0.000300  0.500981  1
  W  W22  1  0.250064  0.125043  0.499178  1
  W  W23  1  0.333387  0.250034  0.498473  1
  W  W24  1  0.416693  0.375037  0.498171  1
  W  W25  1  0.499970  0.500038  0.498154  1
  W  W26  1  0.583333  0.625030  0.498153  1
  W  W27  1  0.666642  0.749989  0.498469  1
  W  W28  1  0.749863  0.875191  0.499465  1
  W  W29  1  0.333653  0.000069  0.499745  1
  W  W30  1  0.416756  0.125141  0.498698  1
  W  W31  1  0.500029  0.250131  0.498182  1
  W  W32  1  0.583333  0.375108  0.498003  1
  W  W33  1  0.666697  0.500038  0.498154  1
  W  W34  1  0.750233  0.625079  0.498808  1
  W  W35  1  0.833567  0.750333  0.500482  1
  W  W36  1  0.916298  0.875175  0.501989  1
  W  W37  1  0.500119  0.000143  0.498894  1
  W  W38  1  0.583333  0.125156  0.498502  1
  W  W39  1  0.666638  0.250131  0.498182  1
  W  W40  1  0.749973  0.375038  0.498172  1
  W  W41  1  0.833334  0.499932  0.498760  1
  W  W42  1  0.917142  0.624907  0.500657  1
  W  W43  1  0.666548  0.000143  0.498894  1
  W  W44  1  0.749910  0.125141  0.498698  1
  W  W45  1  0.833280  0.250034  0.498474  1
  W  W46  1  0.916631  0.374880  0.498763  1
  W  W47  1  0.833014  0.000069  0.499745  1
  W  W48  1  0.916603  0.125043  0.499178  1
  S  S49  1  0.165457  0.914744  0.392964  1
  S  S50  1  0.083333  0.541861  0.389759  1
  S  S51  1  0.165205  0.668495  0.392840  1
  S  S52  1  0.247311  0.791792  0.392753  1
  S  S53  1  0.332958  0.916597  0.389589  1
  S  S54  1  0.083333  0.291530  0.388266  1
  S  S55  1  0.166514  0.416598  0.388448  1
  S  S56  1  0.249423  0.541904  0.389124  1
  S  S57  1  0.332339  0.667055  0.389506  1
  S  S58  1  0.416017  0.791894  0.388838  1
  S  S59  1  0.499872  0.916802  0.388163  1
  S  S60  1  0.083333  0.040841  0.390083  1
  S  S61  1  0.166563  0.166403  0.388503  1
  S  S62  1  0.249862  0.291586  0.387926  1
  S  S63  1  0.333119  0.416704  0.387735  1
  S  S64  1  0.416348  0.541804  0.387808  1
  S  S65  1  0.499689  0.666693  0.387704  1
  S  S66  1  0.583333  0.791735  0.387628  1
  S  S67  1  0.666795  0.916802  0.388163  1
  S  S68  1  0.249902  0.041208  0.389356  1
  S  S69  1  0.333237  0.166563  0.387967  1
  S  S70  1  0.416600  0.291676  0.387432  1
  S  S71  1  0.499933  0.416748  0.387281  1
  S  S72  1  0.583333  0.541708  0.387369  1
  S  S73  1  0.666978  0.666693  0.387704  1
  S  S74  1  0.750649  0.791894  0.388837  1
  S  S75  1  0.833709  0.916597  0.389589  1
  S  S76  1  0.416634  0.041654  0.388309  1
  S  S77  1  0.499980  0.166691  0.387642  1
  S  S78  1  0.583333  0.291741  0.387298  1
  S  S79  1  0.666734  0.416748  0.387281  1
  S  S80  1  0.750319  0.541804  0.387808  1
  S  S81  1  0.834327  0.667056  0.389506  1
  S  S82  1  0.919355  0.791792  0.392752  1
  S  S83  1  0.001210  0.914744  0.392964  1
  S  S84  1  0.583333  0.041734  0.387966  1
  S  S85  1  0.666687  0.166692  0.387642  1
  S  S86  1  0.750068  0.291676  0.387433  1
  S  S87  1  0.833547  0.416704  0.387734  1
  S  S88  1  0.917244  0.541905  0.389125  1
  S  S89  1  0.001462  0.668495  0.392840  1
  S  S90  1  0.750032  0.041655  0.388308  1
  S  S91  1  0.833429  0.166563  0.387968  1
  S  S92  1  0.916805  0.291586  0.387926  1
  S  S93  1  0.000153  0.416598  0.388449  1
  S  S94  1  0.916765  0.041208  0.389356  1
  S  S95  1  0.000104  0.166403  0.388503  1
  S  S96  1  0.083333  0.791592  0.626963  1
  S  S97  1  0.167190  0.917127  0.612509  1
  S  S98  1  0.083333  0.540473  0.611364  1
  S  S99  1  0.166981  0.665986  0.612433  1
  S  S100  1  0.250826  0.791718  0.612328  1
  S  S101  1  0.334496  0.917179  0.611228  1
  S  S102  1  0.083333  0.291417  0.609825  1
  S  S103  1  0.166819  0.416083  0.610014  1
  S  S104  1  0.250230  0.541000  0.610116  1
  S  S105  1  0.333685  0.666484  0.610183  1
  S  S106  1  0.417380  0.791775  0.609797  1
  S  S107  1  0.500456  0.916849  0.609682  1
  S  S108  1  0.083333  0.041889  0.610750  1
  S  S109  1  0.166822  0.166775  0.609947  1
  S  S110  1  0.250203  0.291581  0.609465  1
  S  S111  1  0.333561  0.416481  0.609273  1
  S  S112  1  0.416848  0.541529  0.609243  1
  S  S113  1  0.500183  0.666616  0.609086  1
  S  S114  1  0.583333  0.791633  0.609082  1
  S  S115  1  0.666211  0.916849  0.609682  1
  S  S116  1  0.250634  0.042086  0.610359  1
  S  S117  1  0.333582  0.166915  0.609499  1
  S  S118  1  0.416803  0.291780  0.609008  1
  S  S119  1  0.500063  0.416692  0.608849  1
  S  S120  1  0.583333  0.541659  0.608849  1
  S  S121  1  0.666483  0.666616  0.609086  1
  S  S122  1  0.749286  0.791775  0.609797  1
  S  S123  1  0.832171  0.917180  0.611228  1
  S  S124  1  0.417174  0.042069  0.609885  1
  S  S125  1  0.500115  0.166974  0.609215  1
  S  S126  1  0.583333  0.291862  0.608889  1
  S  S127  1  0.666604  0.416692  0.608849  1
  S  S128  1  0.749819  0.541529  0.609243  1
  S  S129  1  0.832981  0.666484  0.610183  1
  S  S130  1  0.915840  0.791718  0.612327  1
  S  S131  1  -0.000523  0.917126  0.612509  1
  S  S132  1  0.583333  0.041984  0.609563  1
  S  S133  1  0.666552  0.166974  0.609216  1
  S  S134  1  0.749864  0.291780  0.609008  1
  S  S135  1  0.833105  0.416481  0.609274  1
  S  S136  1  0.916436  0.541000  0.610116  1
  S  S137  1  -0.000314  0.665986  0.612433  1
  S  S138  1  0.749493  0.042069  0.609885  1
  S  S139  1  0.833085  0.166915  0.609499  1
  S  S140  1  0.916464  0.291582  0.609466  1
  S  S141  1  -0.000152  0.416083  0.610014  1
  S  S142  1  0.916033  0.042086  0.610359  1
  S  S143  1  -0.000155  0.166775  0.609947  1
  N  N144  1  0.083333  0.791647  0.438285  1
