# 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  0.003643  0.751772  0.505685  1
  W  W2  1  0.083333  0.871347  0.505741  1
  W  W3  1  0.000125  0.499682  0.499819  1
  W  W4  1  0.083333  0.624561  0.502120  1
  W  W5  1  0.163024  0.751772  0.505685  1
  W  W6  1  0.250361  0.875179  0.502038  1
  W  W7  1  -0.000027  0.249844  0.498948  1
  W  W8  1  0.083333  0.374731  0.499163  1
  W  W9  1  0.166541  0.499682  0.499818  1
  W  W10  1  0.249503  0.624918  0.500721  1
  W  W11  1  0.333080  0.750361  0.500539  1
  W  W12  1  0.416780  0.875204  0.499506  1
  W  W13  1  -0.000294  -0.000335  0.501064  1
  W  W14  1  0.083333  0.124714  0.499665  1
  W  W15  1  0.166694  0.249844  0.498948  1
  W  W16  1  0.250023  0.374855  0.498709  1
  W  W17  1  0.333322  0.499968  0.498756  1
  W  W18  1  0.416409  0.625122  0.498815  1
  W  W19  1  0.500005  0.750025  0.498513  1
  W  W20  1  0.583333  0.875074  0.498604  1
  W  W21  1  0.166961  -0.000335  0.501063  1
  W  W22  1  0.250040  0.124988  0.499227  1
  W  W23  1  0.333373  0.250007  0.498384  1
  W  W24  1  0.416689  0.375053  0.498051  1
  W  W25  1  0.499957  0.500090  0.498045  1
  W  W26  1  0.583333  0.625102  0.498123  1
  W  W27  1  0.666662  0.750025  0.498514  1
  W  W28  1  0.749887  0.875204  0.499506  1
  W  W29  1  0.333638  0.000051  0.499797  1
  W  W30  1  0.416751  0.125119  0.498658  1
  W  W31  1  0.500022  0.250126  0.498044  1
  W  W32  1  0.583333  0.375134  0.497837  1
  W  W33  1  0.666709  0.500089  0.498046  1
  W  W34  1  0.750258  0.625122  0.498817  1
  W  W35  1  0.833587  0.750360  0.500540  1
  W  W36  1  0.916306  0.875179  0.502039  1
  W  W37  1  0.500103  0.000135  0.498880  1
  W  W38  1  0.583333  0.125146  0.498397  1
  W  W39  1  0.666645  0.250126  0.498043  1
  W  W40  1  0.749977  0.375053  0.498051  1
  W  W41  1  0.833344  0.499967  0.498757  1
  W  W42  1  0.917164  0.624917  0.500722  1
  W  W43  1  0.666563  0.000135  0.498880  1
  W  W44  1  0.749915  0.125119  0.498658  1
  W  W45  1  0.833294  0.250007  0.498383  1
  W  W46  1  0.916644  0.374856  0.498709  1
  W  W47  1  0.833028  0.000051  0.499797  1
  W  W48  1  0.916627  0.124988  0.499227  1
  S  S49  1  0.165431  0.914729  0.392968  1
  S  S50  1  0.083331  0.541884  0.389750  1
  S  S51  1  0.165204  0.668528  0.392863  1
  S  S52  1  0.247272  0.791789  0.392765  1
  S  S53  1  0.332922  0.916586  0.389580  1
  S  S54  1  0.083333  0.291476  0.388218  1
  S  S55  1  0.166485  0.416617  0.388399  1
  S  S56  1  0.249377  0.541944  0.389100  1
  S  S57  1  0.332271  0.667104  0.389503  1
  S  S58  1  0.415971  0.791919  0.388813  1
  S  S59  1  0.499841  0.916781  0.388116  1
  S  S60  1  0.083333  0.040760  0.390104  1
  S  S61  1  0.166539  0.166303  0.388477  1
  S  S62  1  0.249815  0.291552  0.387823  1
  S  S63  1  0.333066  0.416751  0.387644  1
  S  S64  1  0.416290  0.541873  0.387702  1
  S  S65  1  0.499648  0.666762  0.387641  1
  S  S66  1  0.583333  0.791769  0.387623  1
  S  S67  1  0.666826  0.916781  0.388116  1
  S  S68  1  0.249863  0.041145  0.389346  1
  S  S69  1  0.333191  0.166480  0.387905  1
  S  S70  1  0.416565  0.291675  0.387281  1
  S  S71  1  0.499914  0.416808  0.387101  1
  S  S72  1  0.583334  0.541814  0.387261  1
  S  S73  1  0.667018  0.666762  0.387642  1
  S  S74  1  0.750695  0.791920  0.388813  1
  S  S75  1  0.833745  0.916586  0.389580  1
  S  S76  1  0.416578  0.041601  0.388254  1
  S  S77  1  0.499950  0.166652  0.387510  1
  S  S78  1  0.583333  0.291742  0.387109  1
  S  S79  1  0.666753  0.416807  0.387101  1
  S  S80  1  0.750377  0.541873  0.387704  1
  S  S81  1  0.834396  0.667103  0.389504  1
  S  S82  1  0.919394  0.791789  0.392767  1
  S  S83  1  0.001235  0.914728  0.392969  1
  S  S84  1  0.583334  0.041683  0.387872  1
  S  S85  1  0.666716  0.166652  0.387510  1
  S  S86  1  0.750102  0.291675  0.387280  1
  S  S87  1  0.833600  0.416751  0.387644  1
  S  S88  1  0.917289  0.541943  0.389101  1
  S  S89  1  0.001462  0.668527  0.392863  1
  S  S90  1  0.750089  0.041601  0.388253  1
  S  S91  1  0.833476  0.166480  0.387906  1
  S  S92  1  0.916852  0.291552  0.387822  1
  S  S93  1  0.000182  0.416617  0.388399  1
  S  S94  1  0.916804  0.041145  0.389346  1
  S  S95  1  0.000128  0.166303  0.388477  1
  S  S96  1  0.083334  0.791610  0.627113  1
  S  S97  1  0.167205  0.917126  0.612653  1
  S  S98  1  0.083333  0.540474  0.611506  1
  S  S99  1  0.166981  0.665975  0.612550  1
  S  S100  1  0.250835  0.791728  0.612432  1
  S  S101  1  0.334494  0.917176  0.611343  1
  S  S102  1  0.083333  0.291393  0.609853  1
  S  S103  1  0.166833  0.416038  0.610056  1
  S  S104  1  0.250228  0.541003  0.610215  1
  S  S105  1  0.333653  0.666514  0.610277  1
  S  S106  1  0.417361  0.791795  0.609899  1
  S  S107  1  0.500459  0.916862  0.609766  1
  S  S108  1  0.083334  0.041830  0.610901  1
  S  S109  1  0.166826  0.166739  0.610068  1
  S  S110  1  0.250213  0.291552  0.609458  1
  S  S111  1  0.333570  0.416460  0.609242  1
  S  S112  1  0.416875  0.541560  0.609273  1
  S  S113  1  0.500176  0.666640  0.609166  1
  S  S114  1  0.583334  0.791656  0.609181  1
  S  S115  1  0.666207  0.916862  0.609765  1
  S  S116  1  0.250630  0.042052  0.610502  1
  S  S117  1  0.333592  0.166914  0.609519  1
  S  S118  1  0.416811  0.291782  0.608911  1
  S  S119  1  0.500080  0.416714  0.608752  1
  S  S120  1  0.583333  0.541691  0.608812  1
  S  S121  1  0.666491  0.666640  0.609166  1
  S  S122  1  0.749306  0.791795  0.609900  1
  S  S123  1  0.832173  0.917176  0.611343  1
  S  S124  1  0.417192  0.042085  0.609945  1
  S  S125  1  0.500133  0.166981  0.609162  1
  S  S126  1  0.583333  0.291877  0.608752  1
  S  S127  1  0.666587  0.416714  0.608751  1
  S  S128  1  0.749791  0.541559  0.609274  1
  S  S129  1  0.833015  0.666513  0.610281  1
  S  S130  1  0.915832  0.791728  0.612434  1
  S  S131  1  -0.000538  0.917126  0.612654  1
  S  S132  1  0.583333  0.042002  0.609559  1
  S  S133  1  0.666533  0.166982  0.609162  1
  S  S134  1  0.749856  0.291782  0.608911  1
  S  S135  1  0.833097  0.416459  0.609243  1
  S  S136  1  0.916438  0.541002  0.610217  1
  S  S137  1  -0.000314  0.665975  0.612550  1
  S  S138  1  0.749475  0.042085  0.609945  1
  S  S139  1  0.833075  0.166914  0.609519  1
  S  S140  1  0.916454  0.291552  0.609457  1
  S  S141  1  -0.000167  0.416037  0.610056  1
  S  S142  1  0.916037  0.042052  0.610502  1
  S  S143  1  -0.000160  0.166739  0.610068  1
  N  N144  1  0.083333  0.791658  0.438359  1
