# 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  0.002755  0.751356  0.505709  1
  W  W2  1  0.083333  0.872207  0.505803  1
  W  W3  1  0.000146  0.499956  0.499905  1
  W  W4  1  0.083333  0.624923  0.502488  1
  W  W5  1  0.163912  0.751356  0.505709  1
  W  W6  1  0.250033  0.875008  0.502200  1
  W  W7  1  0.000016  0.249683  0.498713  1
  W  W8  1  0.083333  0.374765  0.498995  1
  W  W9  1  0.166521  0.499957  0.499905  1
  W  W10  1  0.249580  0.625195  0.501006  1
  W  W11  1  0.332925  0.750268  0.500707  1
  W  W12  1  0.416559  0.875137  0.499310  1
  W  W13  1  -0.000013  -0.000496  0.501126  1
  W  W14  1  0.083333  0.124546  0.499534  1
  W  W15  1  0.166650  0.249683  0.498714  1
  W  W16  1  0.249923  0.374882  0.498736  1
  W  W17  1  0.333049  0.500140  0.498979  1
  W  W18  1  0.416410  0.625249  0.499027  1
  W  W19  1  0.499815  0.750292  0.498410  1
  W  W20  1  0.583333  0.875180  0.498304  1
  W  W21  1  0.166679  -0.000496  0.501126  1
  W  W22  1  0.249999  0.124626  0.499098  1
  W  W23  1  0.333293  0.249875  0.498451  1
  W  W24  1  0.416578  0.375078  0.498338  1
  W  W25  1  0.499913  0.500218  0.498341  1
  W  W26  1  0.583333  0.625292  0.498245  1
  W  W27  1  0.666852  0.750292  0.498410  1
  W  W28  1  0.750108  0.875137  0.499310  1
  W  W29  1  0.333348  -0.000136  0.499655  1
  W  W30  1  0.416657  0.124971  0.498622  1
  W  W31  1  0.499989  0.250072  0.498317  1
  W  W32  1  0.583333  0.375160  0.498250  1
  W  W33  1  0.666754  0.500218  0.498341  1
  W  W34  1  0.750257  0.625250  0.499027  1
  W  W35  1  0.833742  0.750268  0.500707  1
  W  W36  1  0.916634  0.875008  0.502200  1
  W  W37  1  0.500004  0.000097  0.498608  1
  W  W38  1  0.583333  0.125082  0.498365  1
  W  W39  1  0.666678  0.250072  0.498317  1
  W  W40  1  0.750089  0.375079  0.498336  1
  W  W41  1  0.833618  0.500140  0.498978  1
  W  W42  1  0.917087  0.625195  0.501006  1
  W  W43  1  0.666663  0.000097  0.498608  1
  W  W44  1  0.750010  0.124971  0.498622  1
  W  W45  1  0.833374  0.249874  0.498451  1
  W  W46  1  0.916743  0.374882  0.498735  1
  W  W47  1  0.833319  -0.000136  0.499655  1
  W  W48  1  0.916667  0.124626  0.499098  1
  C  C49  1  0.083333  0.791649  0.433445  1
  S  S50  1  0.165017  0.914420  0.392313  1
  S  S51  1  0.083333  0.542515  0.389955  1
  S  S52  1  0.165177  0.668903  0.392352  1
  S  S53  1  0.246883  0.791600  0.392123  1
  S  S54  1  0.332316  0.916268  0.389513  1
  S  S55  1  0.083333  0.291460  0.388045  1
  S  S56  1  0.166490  0.416897  0.388497  1
  S  S57  1  0.249284  0.542393  0.389110  1
  S  S58  1  0.332173  0.667207  0.389576  1
  S  S59  1  0.415521  0.791818  0.388557  1
  S  S60  1  0.499615  0.916712  0.387938  1
  S  S61  1  0.083333  0.040486  0.389903  1
  S  S62  1  0.166505  0.166029  0.388392  1
  S  S63  1  0.249833  0.291527  0.387899  1
  S  S64  1  0.333025  0.416906  0.387966  1
  S  S65  1  0.416182  0.542012  0.388091  1
  S  S66  1  0.499563  0.666893  0.387818  1
  S  S67  1  0.583333  0.791833  0.387556  1
  S  S68  1  0.667052  0.916712  0.387938  1
  S  S69  1  0.249453  0.040748  0.389075  1
  S  S70  1  0.333079  0.166335  0.387982  1
  S  S71  1  0.416536  0.291670  0.387645  1
  S  S72  1  0.499883  0.416871  0.387604  1
  S  S73  1  0.583333  0.541920  0.387578  1
  S  S74  1  0.667104  0.666893  0.387818  1
  S  S75  1  0.751146  0.791818  0.388557  1
  S  S76  1  0.834351  0.916268  0.389512  1
  S  S77  1  0.416291  0.041461  0.388197  1
  S  S78  1  0.499878  0.166647  0.387699  1
  S  S79  1  0.583333  0.291773  0.387591  1
  S  S80  1  0.666783  0.416871  0.387603  1
  S  S81  1  0.750485  0.542012  0.388091  1
  S  S82  1  0.834494  0.667207  0.389576  1
  S  S83  1  0.919783  0.791600  0.392123  1
  S  S84  1  0.001650  0.914420  0.392313  1
  S  S85  1  0.583333  0.041675  0.387741  1
  S  S86  1  0.666789  0.166647  0.387699  1
  S  S87  1  0.750130  0.291670  0.387644  1
  S  S88  1  0.833642  0.416907  0.387965  1
  S  S89  1  0.917383  0.542393  0.389109  1
  S  S90  1  0.001490  0.668903  0.392352  1
  S  S91  1  0.750376  0.041461  0.388197  1
  S  S92  1  0.833587  0.166335  0.387982  1
  S  S93  1  0.916834  0.291526  0.387898  1
  S  S94  1  0.000177  0.416897  0.388497  1
  S  S95  1  0.917213  0.040748  0.389075  1
  S  S96  1  0.000162  0.166028  0.388392  1
  S  S97  1  0.083333  0.791606  0.624465  1
  S  S98  1  0.167467  0.917124  0.613616  1
  S  S99  1  0.083333  0.540818  0.611675  1
  S  S100  1  0.166914  0.665844  0.613622  1
  S  S101  1  0.250999  0.791939  0.613417  1
  S  S102  1  0.334201  0.916986  0.611280  1
  S  S103  1  0.083332  0.291295  0.609455  1
  S  S104  1  0.166701  0.416219  0.609879  1
  S  S105  1  0.250085  0.541336  0.610601  1
  S  S106  1  0.333600  0.666681  0.610687  1
  S  S107  1  0.417128  0.791856  0.610062  1
  S  S108  1  0.500285  0.916821  0.609367  1
  S  S109  1  0.083333  0.041680  0.611095  1
  S  S110  1  0.166775  0.166503  0.609761  1
  S  S111  1  0.250028  0.291447  0.609273  1
  S  S112  1  0.333349  0.416582  0.609316  1
  S  S113  1  0.416709  0.541737  0.609375  1
  S  S114  1  0.500114  0.666950  0.609113  1
  S  S115  1  0.583333  0.791863  0.608925  1
  S  S116  1  0.666382  0.916820  0.609367  1
  S  S117  1  0.250372  0.041750  0.610633  1
  S  S118  1  0.333420  0.166655  0.609393  1
  S  S119  1  0.416658  0.291707  0.609020  1
  S  S120  1  0.499977  0.416826  0.608946  1
  S  S121  1  0.583333  0.541940  0.608920  1
  S  S122  1  0.666553  0.666950  0.609113  1
  S  S123  1  0.749538  0.791856  0.610062  1
  S  S124  1  0.832466  0.916987  0.611279  1
  S  S125  1  0.416967  0.041824  0.609661  1
  S  S126  1  0.500059  0.166778  0.609116  1
  S  S127  1  0.583333  0.291822  0.608989  1
  S  S128  1  0.666690  0.416826  0.608945  1
  S  S129  1  0.749957  0.541737  0.609375  1
  S  S130  1  0.833066  0.666681  0.610687  1
  S  S131  1  0.915667  0.791939  0.613418  1
  S  S132  1  -0.000801  0.917124  0.613616  1
  S  S133  1  0.583333  0.041833  0.609213  1
  S  S134  1  0.666608  0.166779  0.609115  1
  S  S135  1  0.750009  0.291707  0.609019  1
  S  S136  1  0.833318  0.416582  0.609315  1
  S  S137  1  0.916582  0.541336  0.610601  1
  S  S138  1  -0.000247  0.665844  0.613622  1
  S  S139  1  0.749700  0.041824  0.609661  1
  S  S140  1  0.833247  0.166655  0.609392  1
  S  S141  1  0.916639  0.291447  0.609272  1
  S  S142  1  -0.000035  0.416218  0.609878  1
  S  S143  1  0.916295  0.041750  0.610632  1
  S  S144  1  -0.000108  0.166503  0.609760  1
