# 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  0.083332  0.791718  0.302040  1
  W  W2  1  0.003124  0.751636  0.508466  1
  W  W3  1  0.083333  0.871861  0.508488  1
  W  W4  1  0.000053  0.500839  0.500888  1
  W  W5  1  0.083333  0.626908  0.504314  1
  W  W6  1  0.163543  0.751636  0.508466  1
  W  W7  1  0.248280  0.874095  0.504082  1
  W  W8  1  0.000051  0.250082  0.499374  1
  W  W9  1  0.083333  0.375484  0.499914  1
  W  W10  1  0.166614  0.500839  0.500888  1
  W  W11  1  0.249458  0.626012  0.501154  1
  W  W12  1  0.332242  0.749963  0.500952  1
  W  W13  1  0.416107  0.874589  0.500637  1
  W  W14  1  0.000632  -0.000886  0.501119  1
  W  W15  1  0.083333  0.124754  0.499574  1
  W  W16  1  0.166616  0.250082  0.499374  1
  W  W17  1  0.249877  0.375348  0.499600  1
  W  W18  1  0.333067  0.500527  0.499577  1
  W  W19  1  0.416441  0.625178  0.499364  1
  W  W20  1  0.499652  0.749916  0.499357  1
  W  W21  1  0.583333  0.874707  0.499869  1
  W  W22  1  0.166035  -0.000886  0.501119  1
  W  W23  1  0.249667  0.124583  0.499592  1
  W  W24  1  0.333163  0.249932  0.499315  1
  W  W25  1  0.416537  0.375153  0.499153  1
  W  W26  1  0.499911  0.500134  0.498958  1
  W  W27  1  0.583333  0.625097  0.498906  1
  W  W28  1  0.667015  0.749916  0.499357  1
  W  W29  1  0.750560  0.874589  0.500637  1
  W  W30  1  0.332713  -0.000477  0.500719  1
  W  W31  1  0.416441  0.124691  0.499686  1
  W  W32  1  0.499913  0.249876  0.499229  1
  W  W33  1  0.583333  0.375024  0.498953  1
  W  W34  1  0.666755  0.500134  0.498958  1
  W  W35  1  0.750226  0.625178  0.499364  1
  W  W36  1  0.834424  0.749963  0.500952  1
  W  W37  1  0.918386  0.874095  0.504081  1
  W  W38  1  0.499767  -0.000396  0.500196  1
  W  W39  1  0.583333  0.124696  0.499719  1
  W  W40  1  0.666754  0.249876  0.499229  1
  W  W41  1  0.750130  0.375153  0.499153  1
  W  W42  1  0.833600  0.500527  0.499577  1
  W  W43  1  0.917209  0.626012  0.501154  1
  W  W44  1  0.666899  -0.000396  0.500196  1
  W  W45  1  0.750226  0.124691  0.499687  1
  W  W46  1  0.833503  0.249932  0.499315  1
  W  W47  1  0.916790  0.375348  0.499600  1
  W  W48  1  0.833954  -0.000477  0.500719  1
  W  W49  1  0.917000  0.124583  0.499592  1
  S  S50  1  0.164265  0.912789  0.393554  1
  S  S51  1  0.083333  0.543867  0.391644  1
  S  S52  1  0.163970  0.670468  0.393623  1
  S  S53  1  0.244973  0.791807  0.393483  1
  S  S54  1  0.331391  0.915576  0.391370  1
  S  S55  1  0.083333  0.292099  0.388903  1
  S  S56  1  0.166478  0.417669  0.389499  1
  S  S57  1  0.249195  0.542897  0.389766  1
  S  S58  1  0.332372  0.667153  0.389568  1
  S  S59  1  0.415334  0.791636  0.389498  1
  S  S60  1  0.499434  0.916256  0.389563  1
  S  S61  1  0.083333  0.040733  0.389700  1
  S  S62  1  0.166585  0.166461  0.388750  1
  S  S63  1  0.249874  0.291906  0.388747  1
  S  S64  1  0.333018  0.417128  0.388778  1
  S  S65  1  0.416283  0.541928  0.388486  1
  S  S66  1  0.499692  0.666806  0.388340  1
  S  S67  1  0.583333  0.791615  0.388780  1
  S  S68  1  0.667233  0.916256  0.389563  1
  S  S69  1  0.249274  0.040500  0.389692  1
  S  S70  1  0.333080  0.166268  0.388877  1
  S  S71  1  0.416508  0.291615  0.388594  1
  S  S72  1  0.499872  0.416714  0.388314  1
  S  S73  1  0.583333  0.541765  0.388201  1
  S  S74  1  0.666974  0.666806  0.388340  1
  S  S75  1  0.751332  0.791635  0.389498  1
  S  S76  1  0.835275  0.915576  0.391370  1
  S  S77  1  0.416106  0.040963  0.389564  1
  S  S78  1  0.499900  0.166245  0.388916  1
  S  S79  1  0.583333  0.291481  0.388494  1
  S  S80  1  0.666795  0.416714  0.388313  1
  S  S81  1  0.750384  0.541928  0.388486  1
  S  S82  1  0.834295  0.667153  0.389567  1
  S  S83  1  0.921694  0.791807  0.393483  1
  S  S84  1  0.002401  0.912789  0.393554  1
  S  S85  1  0.583333  0.041108  0.389444  1
  S  S86  1  0.666767  0.166245  0.388916  1
  S  S87  1  0.750158  0.291615  0.388594  1
  S  S88  1  0.833649  0.417128  0.388778  1
  S  S89  1  0.917471  0.542897  0.389766  1
  S  S90  1  0.002696  0.670468  0.393623  1
  S  S91  1  0.750560  0.040963  0.389565  1
  S  S92  1  0.833586  0.166268  0.388877  1
  S  S93  1  0.916792  0.291906  0.388747  1
  S  S94  1  0.000189  0.417668  0.389499  1
  S  S95  1  0.917393  0.040500  0.389692  1
  S  S96  1  0.000082  0.166461  0.388750  1
  S  S97  1  0.083333  0.791697  0.622082  1
  S  S98  1  0.165725  0.916997  0.615386  1
  S  S99  1  0.083333  0.541856  0.612517  1
  S  S100  1  0.167562  0.667361  0.615479  1
  S  S101  1  0.249964  0.790736  0.615290  1
  S  S102  1  0.333390  0.916534  0.612247  1
  S  S103  1  0.083333  0.291790  0.610150  1
  S  S104  1  0.166755  0.416897  0.610786  1
  S  S105  1  0.250306  0.542184  0.611219  1
  S  S106  1  0.333633  0.666636  0.611067  1
  S  S107  1  0.416558  0.791185  0.610949  1
  S  S108  1  0.499997  0.916265  0.610892  1
  S  S109  1  0.083333  0.041826  0.611167  1
  S  S110  1  0.166564  0.166687  0.610149  1
  S  S111  1  0.249962  0.291771  0.610055  1
  S  S112  1  0.333379  0.416953  0.610052  1
  S  S113  1  0.416785  0.541818  0.610002  1
  S  S114  1  0.500048  0.666578  0.609905  1
  S  S115  1  0.583333  0.791247  0.610109  1
  S  S116  1  0.666669  0.916265  0.610891  1
  S  S117  1  0.249509  0.041594  0.611098  1
  S  S118  1  0.333054  0.166553  0.610105  1
  S  S119  1  0.416591  0.291714  0.609812  1
  S  S120  1  0.500026  0.416765  0.609656  1
  S  S121  1  0.583333  0.541750  0.609594  1
  S  S122  1  0.666619  0.666578  0.609905  1
  S  S123  1  0.750108  0.791185  0.610949  1
  S  S124  1  0.833277  0.916535  0.612247  1
  S  S125  1  0.416467  0.041530  0.610825  1
  S  S126  1  0.499887  0.166582  0.610152  1
  S  S127  1  0.583333  0.291675  0.609724  1
  S  S128  1  0.666641  0.416765  0.609656  1
  S  S129  1  0.749882  0.541818  0.610002  1
  S  S130  1  0.833034  0.666636  0.611067  1
  S  S131  1  0.916703  0.790736  0.615290  1
  S  S132  1  0.000942  0.916997  0.615386  1
  S  S133  1  0.583333  0.041434  0.610658  1
  S  S134  1  0.666780  0.166582  0.610152  1
  S  S135  1  0.750076  0.291714  0.609812  1
  S  S136  1  0.833288  0.416952  0.610052  1
  S  S137  1  0.916360  0.542184  0.611219  1
  S  S138  1  -0.000896  0.667361  0.615479  1
  S  S139  1  0.750200  0.041530  0.610825  1
  S  S140  1  0.833613  0.166553  0.610105  1
  S  S141  1  0.916705  0.291771  0.610055  1
  S  S142  1  -0.000088  0.416896  0.610787  1
  S  S143  1  0.917157  0.041594  0.611098  1
  S  S144  1  0.000103  0.166686  0.610149  1
