# generated using pymatgen
data_GeW48S95
_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   GeW48S95
_chemical_formula_sum   'Ge1 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
  Ge  Ge1  1  0.083333  0.791697  0.392584  1
  W  W2  1  -0.006670  0.746759  0.496263  1
  W  W3  1  0.083333  0.881768  0.496232  1
  W  W4  1  -0.000414  0.499538  0.499799  1
  W  W5  1  0.083333  0.624277  0.497532  1
  W  W6  1  0.173337  0.746759  0.496263  1
  W  W7  1  0.250705  0.875419  0.497727  1
  W  W8  1  -0.000027  0.250410  0.500868  1
  W  W9  1  0.083333  0.374999  0.500633  1
  W  W10  1  0.167081  0.499538  0.499798  1
  W  W11  1  0.250841  0.623849  0.499387  1
  W  W12  1  0.334851  0.749903  0.499615  1
  W  W13  1  0.417315  0.875003  0.500069  1
  W  W14  1  -0.000743  0.001351  0.499269  1
  W  W15  1  0.083333  0.125968  0.500413  1
  W  W16  1  0.166694  0.250410  0.500868  1
  W  W17  1  0.250243  0.375016  0.500732  1
  W  W18  1  0.333854  0.499278  0.500534  1
  W  W19  1  0.417389  0.624487  0.500699  1
  W  W20  1  0.500562  0.749854  0.500799  1
  W  W21  1  0.583333  0.874952  0.500735  1
  W  W22  1  0.167410  0.001351  0.499270  1
  W  W23  1  0.250475  0.125797  0.500404  1
  W  W24  1  0.333536  0.250157  0.500788  1
  W  W25  1  0.416883  0.374753  0.500900  1
  W  W26  1  0.500232  0.499662  0.501036  1
  W  W27  1  0.583333  0.624499  0.501121  1
  W  W28  1  0.666104  0.749854  0.500800  1
  W  W29  1  0.749351  0.875003  0.500068  1
  W  W30  1  0.333711  0.000652  0.499809  1
  W  W31  1  0.416769  0.125137  0.500583  1
  W  W32  1  0.500181  0.249912  0.500866  1
  W  W33  1  0.583333  0.374631  0.500998  1
  W  W34  1  0.666435  0.499663  0.501036  1
  W  W35  1  0.749278  0.624488  0.500700  1
  W  W36  1  0.831816  0.749903  0.499615  1
  W  W37  1  0.915962  0.875419  0.497727  1
  W  W38  1  0.500211  0.000094  0.500538  1
  W  W39  1  0.583333  0.124973  0.500731  1
  W  W40  1  0.666486  0.249912  0.500867  1
  W  W41  1  0.749784  0.374753  0.500900  1
  W  W42  1  0.832813  0.499278  0.500535  1
  W  W43  1  0.915825  0.623849  0.499388  1
  W  W44  1  0.666455  0.000093  0.500538  1
  W  W45  1  0.749898  0.125137  0.500583  1
  W  W46  1  0.833130  0.250157  0.500789  1
  W  W47  1  0.916424  0.375016  0.500733  1
  W  W48  1  0.832955  0.000652  0.499808  1
  W  W49  1  0.916192  0.125797  0.500404  1
  S  S50  1  0.168867  0.919526  0.386312  1
  S  S51  1  0.083332  0.540299  0.388350  1
  S  S52  1  0.168406  0.663707  0.386289  1
  S  S53  1  0.253951  0.791935  0.386387  1
  S  S54  1  0.334723  0.917372  0.388574  1
  S  S55  1  0.083333  0.291853  0.389883  1
  S  S56  1  0.166812  0.416152  0.389478  1
  S  S57  1  0.250972  0.540395  0.388992  1
  S  S58  1  0.334855  0.665901  0.389208  1
  S  S59  1  0.418236  0.791622  0.389254  1
  S  S60  1  0.500480  0.916841  0.389546  1
  S  S61  1  0.083334  0.043314  0.388968  1
  S  S62  1  0.166856  0.167455  0.389739  1
  S  S63  1  0.250189  0.291789  0.389973  1
  S  S64  1  0.333771  0.416148  0.389704  1
  S  S65  1  0.417247  0.541134  0.389885  1
  S  S66  1  0.500541  0.666334  0.390035  1
  S  S67  1  0.583333  0.791597  0.389776  1
  S  S68  1  0.666187  0.916841  0.389545  1
  S  S69  1  0.250894  0.043082  0.388919  1
  S  S70  1  0.333773  0.167180  0.389584  1
  S  S71  1  0.416937  0.291584  0.389956  1
  S  S72  1  0.500190  0.416375  0.390116  1
  S  S73  1  0.583333  0.541278  0.390105  1
  S  S74  1  0.666126  0.666334  0.390035  1
  S  S75  1  0.748431  0.791622  0.389254  1
  S  S76  1  0.831944  0.917372  0.388573  1
  S  S77  1  0.417283  0.042022  0.389378  1
  S  S78  1  0.500143  0.166718  0.389863  1
  S  S79  1  0.583333  0.291507  0.389920  1
  S  S80  1  0.666477  0.416375  0.390116  1
  S  S81  1  0.749420  0.541134  0.389885  1
  S  S82  1  0.831812  0.665901  0.389209  1
  S  S83  1  0.912716  0.791935  0.386387  1
  S  S84  1  -0.002200  0.919526  0.386312  1
  S  S85  1  0.583333  0.041785  0.389659  1
  S  S86  1  0.666524  0.166718  0.389863  1
  S  S87  1  0.749730  0.291584  0.389956  1
  S  S88  1  0.832896  0.416148  0.389705  1
  S  S89  1  0.915694  0.540395  0.388994  1
  S  S90  1  -0.001740  0.663707  0.386289  1
  S  S91  1  0.749384  0.042022  0.389378  1
  S  S92  1  0.832894  0.167180  0.389585  1
  S  S93  1  0.916478  0.291789  0.389974  1
  S  S94  1  -0.000145  0.416152  0.389479  1
  S  S95  1  0.915774  0.043082  0.388919  1
  S  S96  1  -0.000189  0.167455  0.389739  1
  S  S97  1  0.083333  0.791747  0.596932  1
  S  S98  1  0.167762  0.917700  0.609463  1
  S  S99  1  0.083334  0.541788  0.609644  1
  S  S100  1  0.166928  0.665417  0.609401  1
  S  S101  1  0.251352  0.792154  0.609607  1
  S  S102  1  0.333201  0.916766  0.609804  1
  S  S103  1  0.083333  0.291962  0.611790  1
  S  S104  1  0.166733  0.416769  0.611340  1
  S  S105  1  0.250353  0.541100  0.610842  1
  S  S106  1  0.333720  0.666350  0.610590  1
  S  S107  1  0.417214  0.791720  0.611182  1
  S  S108  1  0.500027  0.916739  0.611456  1
  S  S109  1  0.083333  0.042301  0.610282  1
  S  S110  1  0.166841  0.167090  0.611499  1
  S  S111  1  0.250184  0.291843  0.611687  1
  S  S112  1  0.333603  0.416346  0.611791  1
  S  S113  1  0.416866  0.541258  0.611734  1
  S  S114  1  0.500199  0.666443  0.611876  1
  S  S115  1  0.583333  0.791689  0.611937  1
  S  S116  1  0.666639  0.916739  0.611456  1
  S  S117  1  0.250426  0.042325  0.610762  1
  S  S118  1  0.333635  0.166934  0.611624  1
  S  S119  1  0.416865  0.291522  0.611768  1
  S  S120  1  0.500128  0.416338  0.611876  1
  S  S121  1  0.583333  0.541264  0.612133  1
  S  S122  1  0.666468  0.666443  0.611876  1
  S  S123  1  0.749453  0.791721  0.611182  1
  S  S124  1  0.833466  0.916766  0.609804  1
  S  S125  1  0.416755  0.041725  0.611276  1
  S  S126  1  0.500046  0.166553  0.611603  1
  S  S127  1  0.583333  0.291423  0.611938  1
  S  S128  1  0.666538  0.416339  0.611876  1
  S  S129  1  0.749800  0.541258  0.611735  1
  S  S130  1  0.832946  0.666350  0.610591  1
  S  S131  1  0.915314  0.792154  0.609607  1
  S  S132  1  -0.001096  0.917700  0.609462  1
  S  S133  1  0.583334  0.041665  0.611580  1
  S  S134  1  0.666621  0.166553  0.611603  1
  S  S135  1  0.749801  0.291523  0.611769  1
  S  S136  1  0.833064  0.416346  0.611792  1
  S  S137  1  0.916314  0.541100  0.610843  1
  S  S138  1  -0.000262  0.665417  0.609401  1
  S  S139  1  0.749912  0.041725  0.611276  1
  S  S140  1  0.833032  0.166934  0.611624  1
  S  S141  1  0.916483  0.291843  0.611688  1
  S  S142  1  -0.000066  0.416768  0.611341  1
  S  S143  1  0.916240  0.042325  0.610761  1
  S  S144  1  -0.000174  0.167090  0.611498  1
