# generated using pymatgen
data_NaW48S95
_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   NaW48S95
_chemical_formula_sum   'Na1 W48 S95'
_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
  Na  Na1  1  0.083368  0.798825  0.313628  1
  W  W2  1  0.005313  0.749412  0.508075  1
  W  W3  1  0.083327  0.874821  0.512019  1
  W  W4  1  0.000067  0.500122  0.501261  1
  W  W5  1  0.083337  0.625326  0.504907  1
  W  W6  1  0.161360  0.749401  0.508085  1
  W  W7  1  0.248151  0.874601  0.504369  1
  W  W8  1  -0.000029  0.249939  0.499649  1
  W  W9  1  0.083333  0.375008  0.500228  1
  W  W10  1  0.166603  0.500121  0.501264  1
  W  W11  1  0.249132  0.625553  0.501237  1
  W  W12  1  0.331647  0.749976  0.500726  1
  W  W13  1  0.416015  0.874721  0.500023  1
  W  W14  1  0.000323  -0.000351  0.502715  1
  W  W15  1  0.083331  0.124916  0.500505  1
  W  W16  1  0.166693  0.249938  0.499647  1
  W  W17  1  0.250008  0.375040  0.499628  1
  W  W18  1  0.333085  0.500282  0.499376  1
  W  W19  1  0.416205  0.625208  0.498794  1
  W  W20  1  0.499455  0.750056  0.498424  1
  W  W21  1  0.583332  0.874811  0.498843  1
  W  W22  1  0.166338  -0.000352  0.502715  1
  W  W23  1  0.249921  0.124762  0.499958  1
  W  W24  1  0.333338  0.249917  0.499180  1
  W  W25  1  0.416621  0.375107  0.498812  1
  W  W26  1  0.499899  0.500227  0.498368  1
  W  W27  1  0.583335  0.625204  0.498023  1
  W  W28  1  0.667213  0.750057  0.498423  1
  W  W29  1  0.750649  0.874722  0.500024  1
  W  W30  1  0.332918  -0.000334  0.500805  1
  W  W31  1  0.416591  0.124759  0.499377  1
  W  W32  1  0.499972  0.249944  0.498847  1
  W  W33  1  0.583335  0.375108  0.498523  1
  W  W34  1  0.666772  0.500229  0.498365  1
  W  W35  1  0.750466  0.625210  0.498790  1
  W  W36  1  0.835023  0.749980  0.500723  1
  W  W37  1  0.918513  0.874604  0.504370  1
  W  W38  1  0.499839  -0.000289  0.499427  1
  W  W39  1  0.583331  0.124807  0.499107  1
  W  W40  1  0.666692  0.249945  0.498847  1
  W  W41  1  0.750047  0.375108  0.498809  1
  W  W42  1  0.833586  0.500284  0.499371  1
  W  W43  1  0.917539  0.625556  0.501232  1
  W  W44  1  0.666823  -0.000288  0.499428  1
  W  W45  1  0.750071  0.124760  0.499381  1
  W  W46  1  0.833327  0.249918  0.499181  1
  W  W47  1  0.916660  0.375041  0.499625  1
  W  W48  1  0.833744  -0.000333  0.500807  1
  W  W49  1  0.916741  0.124763  0.499962  1
  S  S50  1  0.163767  0.913718  0.394761  1
  S  S51  1  0.083336  0.542784  0.391903  1
  S  S52  1  0.163157  0.668995  0.392994  1
  S  S53  1  0.243251  0.791404  0.394103  1
  S  S54  1  0.331036  0.915718  0.391356  1
  S  S55  1  0.083333  0.291778  0.389129  1
  S  S56  1  0.166438  0.417144  0.389712  1
  S  S57  1  0.248957  0.542448  0.389912  1
  S  S58  1  0.331720  0.667153  0.389405  1
  S  S59  1  0.414674  0.791706  0.388950  1
  S  S60  1  0.499295  0.916367  0.388748  1
  S  S61  1  0.083330  0.040834  0.391176  1
  S  S62  1  0.166509  0.166311  0.389263  1
  S  S63  1  0.249857  0.291689  0.388745  1
  S  S64  1  0.332959  0.416927  0.388557  1
  S  S65  1  0.416060  0.541906  0.388062  1
  S  S66  1  0.499440  0.666830  0.387643  1
  S  S67  1  0.583333  0.791658  0.387882  1
  S  S68  1  0.667369  0.916368  0.388750  1
  S  S69  1  0.249137  0.040655  0.390331  1
  S  S70  1  0.333080  0.166285  0.388775  1
  S  S71  1  0.416514  0.291608  0.388211  1
  S  S72  1  0.499846  0.416745  0.387846  1
  S  S73  1  0.583334  0.541797  0.387501  1
  S  S74  1  0.667228  0.666831  0.387642  1
  S  S75  1  0.751993  0.791708  0.388949  1
  S  S76  1  0.835628  0.915721  0.391356  1
  S  S77  1  0.415987  0.041076  0.389184  1
  S  S78  1  0.499862  0.166362  0.388414  1
  S  S79  1  0.583332  0.291562  0.388045  1
  S  S80  1  0.666822  0.416745  0.387845  1
  S  S81  1  0.750611  0.541907  0.388058  1
  S  S82  1  0.834950  0.667158  0.389402  1
  S  S83  1  0.923416  0.791411  0.394099  1
  S  S84  1  0.002893  0.913721  0.394757  1
  S  S85  1  0.583332  0.041281  0.388668  1
  S  S86  1  0.666802  0.166363  0.388415  1
  S  S87  1  0.750152  0.291608  0.388211  1
  S  S88  1  0.833710  0.416928  0.388553  1
  S  S89  1  0.917714  0.542453  0.389909  1
  S  S90  1  0.003517  0.668999  0.392993  1
  S  S91  1  0.750675  0.041076  0.389186  1
  S  S92  1  0.833581  0.166285  0.388779  1
  S  S93  1  0.916808  0.291689  0.388745  1
  S  S94  1  0.000231  0.417144  0.389710  1
  S  S95  1  0.917523  0.040658  0.390333  1
  S  S96  1  0.000152  0.166311  0.389265  1
  S  S97  1  0.083336  0.792235  0.622006  1
  S  S98  1  0.167654  0.918006  0.617408  1
  S  S99  1  0.083334  0.540641  0.613386  1
  S  S100  1  0.167495  0.666407  0.616003  1
  S  S101  1  0.249221  0.790806  0.614450  1
  S  S102  1  0.333655  0.916502  0.612095  1
  S  S103  1  0.083331  0.291469  0.610502  1
  S  S104  1  0.166911  0.416273  0.611088  1
  S  S105  1  0.250445  0.541714  0.611262  1
  S  S106  1  0.333483  0.666719  0.610588  1
  S  S107  1  0.416319  0.791215  0.610128  1
  S  S108  1  0.500108  0.916297  0.609959  1
  S  S109  1  0.083332  0.042332  0.612562  1
  S  S110  1  0.166836  0.166797  0.610709  1
  S  S111  1  0.250220  0.291590  0.610149  1
  S  S112  1  0.333589  0.416786  0.609910  1
  S  S113  1  0.416843  0.541909  0.609489  1
  S  S114  1  0.500007  0.666735  0.608934  1
  S  S115  1  0.583334  0.791339  0.608984  1
  S  S116  1  0.666554  0.916297  0.609959  1
  S  S117  1  0.250279  0.042059  0.611767  1
  S  S118  1  0.333510  0.166684  0.610132  1
  S  S119  1  0.416772  0.291755  0.609607  1
  S  S120  1  0.500080  0.416911  0.609204  1
  S  S121  1  0.583335  0.541968  0.608870  1
  S  S122  1  0.666664  0.666735  0.608933  1
  S  S123  1  0.750349  0.791215  0.610126  1
  S  S124  1  0.833007  0.916503  0.612097  1
  S  S125  1  0.416877  0.041580  0.610511  1
  S  S126  1  0.500049  0.166654  0.609752  1
  S  S127  1  0.583332  0.291778  0.609375  1
  S  S128  1  0.666592  0.416914  0.609203  1
  S  S129  1  0.749830  0.541911  0.609483  1
  S  S130  1  0.833187  0.666722  0.610585  1
  S  S131  1  0.917452  0.790805  0.614448  1
  S  S132  1  -0.000989  0.918008  0.617410  1
  S  S133  1  0.583330  0.041479  0.609918  1
  S  S134  1  0.666613  0.166655  0.609754  1
  S  S135  1  0.749893  0.291756  0.609607  1
  S  S136  1  0.833080  0.416789  0.609906  1
  S  S137  1  0.916224  0.541716  0.611258  1
  S  S138  1  -0.000825  0.666414  0.615994  1
  S  S139  1  0.749784  0.041581  0.610515  1
  S  S140  1  0.833152  0.166686  0.610135  1
  S  S141  1  0.916443  0.291593  0.610149  1
  S  S142  1  -0.000244  0.416274  0.611087  1
  S  S143  1  0.916383  0.042060  0.611772  1
  S  S144  1  -0.000172  0.166798  0.610711  1
