# 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  0.003551  0.751770  0.505227  1
  W  W2  1  0.083334  0.871367  0.505290  1
  W  W3  1  0.000225  0.500041  0.499607  1
  W  W4  1  0.083333  0.624745  0.501759  1
  W  W5  1  0.163115  0.751771  0.505226  1
  W  W6  1  0.250301  0.875047  0.501717  1
  W  W7  1  0.000078  0.249727  0.498823  1
  W  W8  1  0.083333  0.374935  0.499164  1
  W  W9  1  0.166441  0.500041  0.499607  1
  W  W10  1  0.249342  0.625156  0.500481  1
  W  W11  1  0.332980  0.750487  0.500370  1
  W  W12  1  0.416618  0.875016  0.499354  1
  W  W13  1  -0.000269  -0.000624  0.500664  1
  W  W14  1  0.083333  0.124412  0.499363  1
  W  W15  1  0.166589  0.249728  0.498823  1
  W  W16  1  0.249870  0.375042  0.498821  1
  W  W17  1  0.333045  0.500436  0.498827  1
  W  W18  1  0.416237  0.625457  0.498753  1
  W  W19  1  0.499862  0.750106  0.498363  1
  W  W20  1  0.583333  0.874835  0.498529  1
  W  W21  1  0.166935  -0.000624  0.500664  1
  W  W22  1  0.249823  0.124586  0.499107  1
  W  W23  1  0.333126  0.249947  0.498660  1
  W  W24  1  0.416523  0.375277  0.498544  1
  W  W25  1  0.499856  0.500493  0.498310  1
  W  W26  1  0.583333  0.625472  0.498090  1
  W  W27  1  0.666805  0.750105  0.498363  1
  W  W28  1  0.750050  0.875016  0.499354  1
  W  W29  1  0.333460  -0.000309  0.499621  1
  W  W30  1  0.416603  0.124837  0.498964  1
  W  W31  1  0.499886  0.250033  0.498794  1
  W  W32  1  0.583333  0.375398  0.498564  1
  W  W33  1  0.666812  0.500493  0.498312  1
  W  W34  1  0.750429  0.625457  0.498753  1
  W  W35  1  0.833686  0.750487  0.500370  1
  W  W36  1  0.916366  0.875047  0.501717  1
  W  W37  1  0.499969  -0.000237  0.498964  1
  W  W38  1  0.583333  0.124833  0.498835  1
  W  W39  1  0.666781  0.250033  0.498794  1
  W  W40  1  0.750144  0.375277  0.498543  1
  W  W41  1  0.833621  0.500436  0.498828  1
  W  W42  1  0.917325  0.625155  0.500480  1
  W  W43  1  0.666698  -0.000237  0.498964  1
  W  W44  1  0.750063  0.124837  0.498964  1
  W  W45  1  0.833541  0.249947  0.498660  1
  W  W46  1  0.916796  0.375042  0.498821  1
  W  W47  1  0.833207  -0.000309  0.499621  1
  W  W48  1  0.916843  0.124586  0.499107  1
  S  S49  1  0.165553  0.914481  0.392233  1
  S  S50  1  0.083333  0.542155  0.389200  1
  S  S51  1  0.165079  0.668545  0.392144  1
  S  S52  1  0.247333  0.791843  0.392094  1
  S  S53  1  0.332857  0.916321  0.389068  1
  S  S54  1  0.083333  0.291564  0.388262  1
  S  S55  1  0.166419  0.416844  0.388434  1
  S  S56  1  0.249199  0.542223  0.388682  1
  S  S57  1  0.332026  0.667359  0.389053  1
  S  S58  1  0.415871  0.791905  0.388315  1
  S  S59  1  0.499787  0.916490  0.387970  1
  S  S60  1  0.083333  0.040344  0.389482  1
  S  S61  1  0.166488  0.166052  0.388355  1
  S  S62  1  0.249750  0.291596  0.388093  1
  S  S63  1  0.332950  0.417053  0.388144  1
  S  S64  1  0.416117  0.542219  0.387889  1
  S  S65  1  0.499511  0.666967  0.387463  1
  S  S66  1  0.583334  0.791675  0.387391  1
  S  S67  1  0.666880  0.916490  0.387970  1
  S  S68  1  0.249872  0.040788  0.388868  1
  S  S69  1  0.333084  0.166274  0.388344  1
  S  S70  1  0.416509  0.291718  0.388240  1
  S  S71  1  0.499846  0.417018  0.387990  1
  S  S72  1  0.583334  0.542116  0.387565  1
  S  S73  1  0.667156  0.666966  0.387463  1
  S  S74  1  0.750796  0.791905  0.388315  1
  S  S75  1  0.833810  0.916320  0.389068  1
  S  S76  1  0.416521  0.041342  0.388391  1
  S  S77  1  0.499909  0.166517  0.388373  1
  S  S78  1  0.583333  0.291767  0.388477  1
  S  S79  1  0.666820  0.417018  0.387991  1
  S  S80  1  0.750549  0.542219  0.387891  1
  S  S81  1  0.834641  0.667359  0.389053  1
  S  S82  1  0.919334  0.791842  0.392094  1
  S  S83  1  0.001114  0.914481  0.392233  1
  S  S84  1  0.583333  0.041366  0.388239  1
  S  S85  1  0.666757  0.166517  0.388374  1
  S  S86  1  0.750157  0.291718  0.388240  1
  S  S87  1  0.833717  0.417054  0.388144  1
  S  S88  1  0.917467  0.542222  0.388682  1
  S  S89  1  0.001588  0.668545  0.392144  1
  S  S90  1  0.750146  0.041342  0.388391  1
  S  S91  1  0.833583  0.166274  0.388344  1
  S  S92  1  0.916916  0.291596  0.388093  1
  S  S93  1  0.000247  0.416844  0.388433  1
  S  S94  1  0.916794  0.040788  0.388868  1
  S  S95  1  0.000178  0.166051  0.388356  1
  S  S96  1  0.083334  0.791612  0.626904  1
  S  S97  1  0.167159  0.916907  0.612598  1
  S  S98  1  0.083333  0.540790  0.611473  1
  S  S99  1  0.166850  0.666144  0.612546  1
  S  S100  1  0.250686  0.791725  0.612530  1
  S  S101  1  0.334342  0.916893  0.611424  1
  S  S102  1  0.083333  0.291372  0.609583  1
  S  S103  1  0.166700  0.416420  0.609948  1
  S  S104  1  0.249887  0.541427  0.610357  1
  S  S105  1  0.333246  0.666815  0.610451  1
  S  S106  1  0.417200  0.791768  0.610111  1
  S  S107  1  0.500342  0.916450  0.609812  1
  S  S108  1  0.083333  0.041311  0.610769  1
  S  S109  1  0.166645  0.166391  0.609794  1
  S  S110  1  0.249884  0.291562  0.609352  1
  S  S111  1  0.333218  0.416920  0.609279  1
  S  S112  1  0.416561  0.542078  0.609304  1
  S  S113  1  0.499991  0.666923  0.609173  1
  S  S114  1  0.583334  0.791519  0.609222  1
  S  S115  1  0.666325  0.916451  0.609812  1
  S  S116  1  0.250446  0.041583  0.610502  1
  S  S117  1  0.333210  0.166578  0.609446  1
  S  S118  1  0.416457  0.291837  0.609077  1
  S  S119  1  0.499873  0.417159  0.608947  1
  S  S120  1  0.583333  0.542211  0.608786  1
  S  S121  1  0.666676  0.666923  0.609172  1
  S  S122  1  0.749467  0.791768  0.610111  1
  S  S123  1  0.832326  0.916893  0.611424  1
  S  S124  1  0.416940  0.041598  0.609948  1
  S  S125  1  0.499999  0.166618  0.609376  1
  S  S126  1  0.583333  0.291920  0.609060  1
  S  S127  1  0.666794  0.417158  0.608948  1
  S  S128  1  0.750106  0.542079  0.609306  1
  S  S129  1  0.833421  0.666815  0.610451  1
  S  S130  1  0.915981  0.791725  0.612530  1
  S  S131  1  -0.000491  0.916908  0.612598  1
  S  S132  1  0.583333  0.041446  0.609546  1
  S  S133  1  0.666668  0.166618  0.609376  1
  S  S134  1  0.750209  0.291838  0.609076  1
  S  S135  1  0.833448  0.416920  0.609280  1
  S  S136  1  0.916780  0.541427  0.610357  1
  S  S137  1  -0.000183  0.666143  0.612547  1
  S  S138  1  0.749727  0.041598  0.609948  1
  S  S139  1  0.833457  0.166578  0.609446  1
  S  S140  1  0.916783  0.291561  0.609352  1
  S  S141  1  -0.000034  0.416420  0.609948  1
  S  S142  1  0.916220  0.041583  0.610502  1
  S  S143  1  0.000021  0.166391  0.609795  1
  N  N144  1  0.083333  0.791588  0.438262  1
