# 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  0.001057  0.750505  0.505416  1
  W  W2  1  0.083333  0.873942  0.505453  1
  W  W3  1  0.000020  0.499629  0.499736  1
  W  W4  1  0.083333  0.624368  0.501915  1
  W  W5  1  0.165609  0.750505  0.505416  1
  W  W6  1  0.250575  0.875279  0.501869  1
  W  W7  1  0.000003  0.249769  0.498976  1
  W  W8  1  0.083333  0.374705  0.499185  1
  W  W9  1  0.166646  0.499629  0.499736  1
  W  W10  1  0.249465  0.624837  0.500718  1
  W  W11  1  0.333181  0.750459  0.500594  1
  W  W12  1  0.416884  0.875167  0.499409  1
  W  W13  1  -0.000418  -0.000361  0.500942  1
  W  W14  1  0.083333  0.124658  0.499549  1
  W  W15  1  0.166664  0.249769  0.498976  1
  W  W16  1  0.249987  0.374820  0.498798  1
  W  W17  1  0.333246  0.499965  0.498817  1
  W  W18  1  0.416420  0.625147  0.498917  1
  W  W19  1  0.499964  0.750111  0.498571  1
  W  W20  1  0.583333  0.875099  0.498611  1
  W  W21  1  0.167084  -0.000361  0.500942  1
  W  W22  1  0.250071  0.124913  0.499133  1
  W  W23  1  0.333348  0.249978  0.498512  1
  W  W24  1  0.416669  0.375056  0.498280  1
  W  W25  1  0.499941  0.500143  0.498262  1
  W  W26  1  0.583333  0.625134  0.498313  1
  W  W27  1  0.666702  0.750111  0.498570  1
  W  W28  1  0.749783  0.875167  0.499408  1
  W  W29  1  0.333630  0.000134  0.499630  1
  W  W30  1  0.416757  0.125099  0.498656  1
  W  W31  1  0.500031  0.250130  0.498241  1
  W  W32  1  0.583333  0.375166  0.498107  1
  W  W33  1  0.666726  0.500143  0.498262  1
  W  W34  1  0.750247  0.625146  0.498917  1
  W  W35  1  0.833486  0.750459  0.500593  1
  W  W36  1  0.916092  0.875279  0.501869  1
  W  W37  1  0.500094  0.000138  0.498787  1
  W  W38  1  0.583334  0.125151  0.498463  1
  W  W39  1  0.666636  0.250130  0.498241  1
  W  W40  1  0.749997  0.375056  0.498279  1
  W  W41  1  0.833420  0.499966  0.498815  1
  W  W42  1  0.917202  0.624836  0.500718  1
  W  W43  1  0.666573  0.000138  0.498787  1
  W  W44  1  0.749910  0.125099  0.498656  1
  W  W45  1  0.833319  0.249978  0.498511  1
  W  W46  1  0.916679  0.374820  0.498797  1
  W  W47  1  0.833037  0.000134  0.499630  1
  W  W48  1  0.916596  0.124914  0.499133  1
  C  C49  1  0.083333  0.791674  0.441594  1
  S  S50  1  0.165892  0.914912  0.392120  1
  S  S51  1  0.083334  0.541817  0.389613  1
  S  S52  1  0.165227  0.668092  0.392047  1
  S  S53  1  0.247776  0.792020  0.391997  1
  S  S54  1  0.332989  0.916582  0.389411  1
  S  S55  1  0.083333  0.291455  0.388308  1
  S  S56  1  0.166506  0.416594  0.388439  1
  S  S57  1  0.249473  0.541978  0.388938  1
  S  S58  1  0.332256  0.667155  0.389389  1
  S  S59  1  0.415986  0.791847  0.388635  1
  S  S60  1  0.499863  0.916755  0.388093  1
  S  S61  1  0.083333  0.040653  0.389800  1
  S  S62  1  0.166521  0.166252  0.388490  1
  S  S63  1  0.249814  0.291511  0.387995  1
  S  S64  1  0.333079  0.416732  0.387873  1
  S  S65  1  0.416294  0.541914  0.387925  1
  S  S66  1  0.499654  0.666799  0.387843  1
  S  S67  1  0.583333  0.791780  0.387757  1
  S  S68  1  0.666803  0.916755  0.388093  1
  S  S69  1  0.249802  0.041163  0.389055  1
  S  S70  1  0.333195  0.166490  0.387996  1
  S  S71  1  0.416576  0.291690  0.387580  1
  S  S72  1  0.499911  0.416840  0.387464  1
  S  S73  1  0.583333  0.541851  0.387535  1
  S  S74  1  0.667013  0.666799  0.387842  1
  S  S75  1  0.750681  0.791847  0.388634  1
  S  S76  1  0.833678  0.916582  0.389410  1
  S  S77  1  0.416574  0.041618  0.388196  1
  S  S78  1  0.499950  0.166696  0.387696  1
  S  S79  1  0.583333  0.291797  0.387421  1
  S  S80  1  0.666755  0.416840  0.387463  1
  S  S81  1  0.750372  0.541914  0.387924  1
  S  S82  1  0.834411  0.667155  0.389389  1
  S  S83  1  0.918891  0.792020  0.391997  1
  S  S84  1  0.000774  0.914912  0.392120  1
  S  S85  1  0.583333  0.041721  0.387903  1
  S  S86  1  0.666717  0.166697  0.387696  1
  S  S87  1  0.750090  0.291690  0.387579  1
  S  S88  1  0.833587  0.416731  0.387872  1
  S  S89  1  0.917194  0.541978  0.388937  1
  S  S90  1  0.001440  0.668092  0.392047  1
  S  S91  1  0.750093  0.041618  0.388196  1
  S  S92  1  0.833472  0.166490  0.387996  1
  S  S93  1  0.916853  0.291512  0.387995  1
  S  S94  1  0.000160  0.416595  0.388438  1
  S  S95  1  0.916865  0.041163  0.389055  1
  S  S96  1  0.000146  0.166252  0.388490  1
  S  S97  1  0.083333  0.791616  0.622621  1
  S  S98  1  0.168074  0.917507  0.613222  1
  S  S99  1  0.083334  0.540360  0.611372  1
  S  S100  1  0.166908  0.665170  0.613125  1
  S  S101  1  0.251633  0.792216  0.613094  1
  S  S102  1  0.334618  0.917252  0.611228  1
  S  S103  1  0.083333  0.291336  0.609816  1
  S  S104  1  0.166821  0.416078  0.610012  1
  S  S105  1  0.250244  0.541015  0.610309  1
  S  S106  1  0.333521  0.666606  0.610405  1
  S  S107  1  0.417403  0.791826  0.610065  1
  S  S108  1  0.500430  0.916878  0.609671  1
  S  S109  1  0.083333  0.041658  0.610830  1
  S  S110  1  0.166765  0.166591  0.609922  1
  S  S111  1  0.250155  0.291489  0.609471  1
  S  S112  1  0.333506  0.416483  0.609309  1
  S  S113  1  0.416770  0.541639  0.609313  1
  S  S114  1  0.500092  0.666715  0.609210  1
  S  S115  1  0.583333  0.791693  0.609211  1
  S  S116  1  0.666237  0.916878  0.609671  1
  S  S117  1  0.250602  0.042060  0.610467  1
  S  S118  1  0.333544  0.166834  0.609469  1
  S  S119  1  0.416772  0.291746  0.609028  1
  S  S120  1  0.500043  0.416763  0.608915  1
  S  S121  1  0.583334  0.541754  0.608959  1
  S  S122  1  0.666575  0.666714  0.609210  1
  S  S123  1  0.749264  0.791826  0.610064  1
  S  S124  1  0.832049  0.917252  0.611228  1
  S  S125  1  0.417132  0.042038  0.609801  1
  S  S126  1  0.500110  0.166931  0.609185  1
  S  S127  1  0.583333  0.291884  0.608931  1
  S  S128  1  0.666624  0.416763  0.608914  1
  S  S129  1  0.749898  0.541638  0.609313  1
  S  S130  1  0.833145  0.666606  0.610405  1
  S  S131  1  0.915034  0.792215  0.613093  1
  S  S132  1  -0.001407  0.917507  0.613222  1
  S  S133  1  0.583333  0.041967  0.609427  1
  S  S134  1  0.666557  0.166932  0.609185  1
  S  S135  1  0.749894  0.291746  0.609027  1
  S  S136  1  0.833160  0.416483  0.609307  1
  S  S137  1  0.916422  0.541015  0.610307  1
  S  S138  1  -0.000241  0.665170  0.613125  1
  S  S139  1  0.749535  0.042038  0.609801  1
  S  S140  1  0.833123  0.166834  0.609470  1
  S  S141  1  0.916511  0.291489  0.609470  1
  S  S142  1  -0.000155  0.416078  0.610012  1
  S  S143  1  0.916065  0.042060  0.610467  1
  S  S144  1  -0.000099  0.166591  0.609922  1
