# generated using pymatgen
data_W48CS95
_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   W48CS95
_chemical_formula_sum   'W48 C1 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
  W  W1  1  0.000881  0.750415  0.505454  1
  W  W2  1  0.083333  0.874123  0.505528  1
  W  W3  1  0.000010  0.499671  0.499751  1
  W  W4  1  0.083333  0.624359  0.501941  1
  W  W5  1  0.165786  0.750415  0.505455  1
  W  W6  1  0.250585  0.875289  0.501861  1
  W  W7  1  0.000027  0.249807  0.498930  1
  W  W8  1  0.083333  0.374722  0.499134  1
  W  W9  1  0.166656  0.499671  0.499751  1
  W  W10  1  0.249454  0.624902  0.500738  1
  W  W11  1  0.333108  0.750418  0.500596  1
  W  W12  1  0.416857  0.875143  0.499413  1
  W  W13  1  -0.000344  -0.000378  0.500969  1
  W  W14  1  0.083333  0.124741  0.499557  1
  W  W15  1  0.166640  0.249807  0.498930  1
  W  W16  1  0.250010  0.374854  0.498768  1
  W  W17  1  0.333262  0.499918  0.498805  1
  W  W18  1  0.416485  0.625117  0.498907  1
  W  W19  1  0.499996  0.750101  0.498502  1
  W  W20  1  0.583333  0.875065  0.498529  1
  W  W21  1  0.167011  -0.000378  0.500969  1
  W  W22  1  0.250110  0.124958  0.499123  1
  W  W23  1  0.333350  0.249980  0.498489  1
  W  W24  1  0.416673  0.375049  0.498274  1
  W  W25  1  0.499955  0.500143  0.498249  1
  W  W26  1  0.583333  0.625080  0.498242  1
  W  W27  1  0.666671  0.750101  0.498501  1
  W  W28  1  0.749810  0.875143  0.499412  1
  W  W29  1  0.333584  0.000137  0.499648  1
  W  W30  1  0.416724  0.125089  0.498669  1
  W  W31  1  0.500046  0.250122  0.498277  1
  W  W32  1  0.583333  0.375141  0.498143  1
  W  W33  1  0.666712  0.500143  0.498249  1
  W  W34  1  0.750182  0.625117  0.498907  1
  W  W35  1  0.833558  0.750417  0.500596  1
  W  W36  1  0.916082  0.875289  0.501860  1
  W  W37  1  0.500119  0.000134  0.498789  1
  W  W38  1  0.583333  0.125127  0.498490  1
  W  W39  1  0.666620  0.250122  0.498277  1
  W  W40  1  0.749993  0.375049  0.498274  1
  W  W41  1  0.833405  0.499918  0.498805  1
  W  W42  1  0.917214  0.624902  0.500739  1
  W  W43  1  0.666548  0.000134  0.498789  1
  W  W44  1  0.749943  0.125089  0.498669  1
  W  W45  1  0.833317  0.249980  0.498489  1
  W  W46  1  0.916656  0.374854  0.498768  1
  W  W47  1  0.833083  0.000137  0.499648  1
  W  W48  1  0.916557  0.124958  0.499123  1
  C  C49  1  0.083333  0.791674  0.441902  1
  S  S50  1  0.165890  0.914943  0.392071  1
  S  S51  1  0.083333  0.541844  0.389590  1
  S  S52  1  0.165247  0.668074  0.391993  1
  S  S53  1  0.247782  0.792001  0.391935  1
  S  S54  1  0.332966  0.916583  0.389384  1
  S  S55  1  0.083333  0.291486  0.388178  1
  S  S56  1  0.166506  0.416640  0.388380  1
  S  S57  1  0.249486  0.541983  0.388926  1
  S  S58  1  0.332309  0.667115  0.389400  1
  S  S59  1  0.415969  0.791839  0.388619  1
  S  S60  1  0.499812  0.916753  0.388019  1
  S  S61  1  0.083333  0.040734  0.389815  1
  S  S62  1  0.166515  0.166283  0.388419  1
  S  S63  1  0.249816  0.291528  0.387915  1
  S  S64  1  0.333106  0.416716  0.387758  1
  S  S65  1  0.416307  0.541898  0.387844  1
  S  S66  1  0.499658  0.666763  0.387725  1
  S  S67  1  0.583333  0.791755  0.387578  1
  S  S68  1  0.666855  0.916753  0.388019  1
  S  S69  1  0.249780  0.041182  0.389059  1
  S  S70  1  0.333211  0.166515  0.387897  1
  S  S71  1  0.416600  0.291675  0.387525  1
  S  S72  1  0.499922  0.416819  0.387415  1
  S  S73  1  0.583333  0.541798  0.387407  1
  S  S74  1  0.667008  0.666763  0.387725  1
  S  S75  1  0.750697  0.791839  0.388619  1
  S  S76  1  0.833701  0.916583  0.389384  1
  S  S77  1  0.416557  0.041598  0.388166  1
  S  S78  1  0.499962  0.166688  0.387669  1
  S  S79  1  0.583333  0.291777  0.387416  1
  S  S80  1  0.666744  0.416819  0.387415  1
  S  S81  1  0.750360  0.541899  0.387844  1
  S  S82  1  0.834359  0.667115  0.389401  1
  S  S83  1  0.918884  0.792001  0.391934  1
  S  S84  1  0.000777  0.914943  0.392071  1
  S  S85  1  0.583333  0.041724  0.387807  1
  S  S86  1  0.666704  0.166688  0.387668  1
  S  S87  1  0.750066  0.291675  0.387525  1
  S  S88  1  0.833561  0.416716  0.387758  1
  S  S89  1  0.917181  0.541982  0.388927  1
  S  S90  1  0.001419  0.668074  0.391994  1
  S  S91  1  0.750110  0.041598  0.388165  1
  S  S92  1  0.833455  0.166514  0.387896  1
  S  S93  1  0.916850  0.291529  0.387915  1
  S  S94  1  0.000161  0.416640  0.388380  1
  S  S95  1  0.916887  0.041182  0.389059  1
  S  S96  1  0.000152  0.166283  0.388419  1
  S  S97  1  0.083333  0.791620  0.622533  1
  S  S98  1  0.168054  0.917532  0.613352  1
  S  S99  1  0.083333  0.540391  0.611460  1
  S  S100  1  0.166938  0.665163  0.613270  1
  S  S101  1  0.251630  0.792197  0.613212  1
  S  S102  1  0.334583  0.917243  0.611296  1
  S  S103  1  0.083333  0.291379  0.609848  1
  S  S104  1  0.166815  0.416095  0.610034  1
  S  S105  1  0.250290  0.541017  0.610340  1
  S  S106  1  0.333581  0.666566  0.610442  1
  S  S107  1  0.417420  0.791778  0.610069  1
  S  S108  1  0.500440  0.916845  0.609675  1
  S  S109  1  0.083333  0.041747  0.610891  1
  S  S110  1  0.166786  0.166640  0.609970  1
  S  S111  1  0.250142  0.291515  0.609488  1
  S  S112  1  0.333509  0.416477  0.609369  1
  S  S113  1  0.416786  0.541619  0.609354  1
  S  S114  1  0.500148  0.666706  0.609217  1
  S  S115  1  0.583333  0.791688  0.609192  1
  S  S116  1  0.666226  0.916845  0.609675  1
  S  S117  1  0.250570  0.042107  0.610508  1
  S  S118  1  0.333546  0.166850  0.609536  1
  S  S119  1  0.416757  0.291749  0.609100  1
  S  S120  1  0.500037  0.416769  0.608967  1
  S  S121  1  0.583334  0.541750  0.608990  1
  S  S122  1  0.666519  0.666706  0.609217  1
  S  S123  1  0.749246  0.791778  0.610069  1
  S  S124  1  0.832083  0.917243  0.611295  1
  S  S125  1  0.417130  0.042015  0.609846  1
  S  S126  1  0.500090  0.166908  0.609258  1
  S  S127  1  0.583333  0.291869  0.609045  1
  S  S128  1  0.666630  0.416769  0.608967  1
  S  S129  1  0.749881  0.541619  0.609354  1
  S  S130  1  0.833085  0.666566  0.610442  1
  S  S131  1  0.915036  0.792197  0.613212  1
  S  S132  1  -0.001387  0.917532  0.613352  1
  S  S133  1  0.583333  0.041935  0.609518  1
  S  S134  1  0.666576  0.166908  0.609258  1
  S  S135  1  0.749910  0.291749  0.609100  1
  S  S136  1  0.833158  0.416476  0.609369  1
  S  S137  1  0.916376  0.541016  0.610340  1
  S  S138  1  -0.000271  0.665163  0.613271  1
  S  S139  1  0.749536  0.042015  0.609846  1
  S  S140  1  0.833120  0.166850  0.609536  1
  S  S141  1  0.916524  0.291515  0.609488  1
  S  S142  1  -0.000148  0.416095  0.610035  1
  S  S143  1  0.916097  0.042107  0.610507  1
  S  S144  1  -0.000119  0.166640  0.609970  1
