# 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  0.000120  0.750092  0.506115  1
  W  W2  1  0.083333  0.874868  0.506264  1
  W  W3  1  -0.000077  0.499930  0.499904  1
  W  W4  1  0.083334  0.624493  0.502410  1
  W  W5  1  0.166547  0.750092  0.506115  1
  W  W6  1  0.250515  0.875229  0.502276  1
  W  W7  1  0.000137  0.249855  0.498814  1
  W  W8  1  0.083333  0.374835  0.499064  1
  W  W9  1  0.166744  0.499930  0.499904  1
  W  W10  1  0.249371  0.625205  0.500998  1
  W  W11  1  0.332863  0.750338  0.500803  1
  W  W12  1  0.416759  0.874969  0.499582  1
  W  W13  1  -0.000119  -0.000572  0.501417  1
  W  W14  1  0.083333  0.124892  0.499751  1
  W  W15  1  0.166529  0.249855  0.498813  1
  W  W16  1  0.250010  0.375058  0.498544  1
  W  W17  1  0.333198  0.499912  0.498642  1
  W  W18  1  0.416647  0.625124  0.498878  1
  W  W19  1  0.500014  0.750156  0.498453  1
  W  W20  1  0.583333  0.874915  0.498570  1
  W  W21  1  0.166785  -0.000573  0.501416  1
  W  W22  1  0.250200  0.124929  0.499128  1
  W  W23  1  0.333266  0.249960  0.498106  1
  W  W24  1  0.416650  0.375081  0.497695  1
  W  W25  1  0.499933  0.500266  0.497843  1
  W  W26  1  0.583334  0.624995  0.498069  1
  W  W27  1  0.666653  0.750156  0.498454  1
  W  W28  1  0.749908  0.874968  0.499582  1
  W  W29  1  0.333372  0.000080  0.499868  1
  W  W30  1  0.416551  0.124923  0.498447  1
  W  W31  1  0.500080  0.250046  0.497604  1
  W  W32  1  0.583333  0.375046  0.497389  1
  W  W33  1  0.666734  0.500266  0.497843  1
  W  W34  1  0.750020  0.625124  0.498878  1
  W  W35  1  0.833805  0.750338  0.500805  1
  W  W36  1  0.916152  0.875229  0.502277  1
  W  W37  1  0.500165  -0.000008  0.498836  1
  W  W38  1  0.583333  0.124960  0.498167  1
  W  W39  1  0.666586  0.250046  0.497604  1
  W  W40  1  0.750016  0.375081  0.497695  1
  W  W41  1  0.833469  0.499912  0.498642  1
  W  W42  1  0.917296  0.625205  0.500998  1
  W  W43  1  0.666502  -0.000008  0.498836  1
  W  W44  1  0.750115  0.124923  0.498448  1
  W  W45  1  0.833400  0.249960  0.498106  1
  W  W46  1  0.916656  0.375058  0.498545  1
  W  W47  1  0.833294  0.000080  0.499869  1
  W  W48  1  0.916466  0.124930  0.499129  1
  C  C49  1  0.083334  0.791663  0.444297  1
  S  S50  1  0.165817  0.914846  0.392341  1
  S  S51  1  0.083334  0.542213  0.389828  1
  S  S52  1  0.165120  0.668212  0.392192  1
  S  S53  1  0.247629  0.792044  0.392051  1
  S  S54  1  0.332739  0.916440  0.389600  1
  S  S55  1  0.083332  0.291618  0.388053  1
  S  S56  1  0.166402  0.416945  0.388382  1
  S  S57  1  0.249402  0.542285  0.389042  1
  S  S58  1  0.332278  0.667146  0.389512  1
  S  S59  1  0.415790  0.791760  0.388710  1
  S  S60  1  0.499694  0.916594  0.388121  1
  S  S61  1  0.083333  0.040716  0.390187  1
  S  S62  1  0.166482  0.166210  0.388475  1
  S  S63  1  0.249684  0.291624  0.387798  1
  S  S64  1  0.332991  0.416876  0.387415  1
  S  S65  1  0.416179  0.542036  0.387656  1
  S  S66  1  0.499644  0.666852  0.387621  1
  S  S67  1  0.583334  0.791724  0.387447  1
  S  S68  1  0.666973  0.916594  0.388121  1
  S  S69  1  0.249549  0.040997  0.389331  1
  S  S70  1  0.333091  0.166381  0.387672  1
  S  S71  1  0.416464  0.291622  0.387087  1
  S  S72  1  0.499864  0.416937  0.386938  1
  S  S73  1  0.583334  0.541910  0.387036  1
  S  S74  1  0.667024  0.666852  0.387621  1
  S  S75  1  0.750878  0.791759  0.388712  1
  S  S76  1  0.833928  0.916440  0.389600  1
  S  S77  1  0.416416  0.041287  0.388236  1
  S  S78  1  0.499869  0.166397  0.387375  1
  S  S79  1  0.583334  0.291665  0.386708  1
  S  S80  1  0.666802  0.416937  0.386938  1
  S  S81  1  0.750488  0.542037  0.387656  1
  S  S82  1  0.834390  0.667146  0.389513  1
  S  S83  1  0.919038  0.792044  0.392052  1
  S  S84  1  0.000850  0.914846  0.392341  1
  S  S85  1  0.583334  0.041431  0.387694  1
  S  S86  1  0.666798  0.166396  0.387375  1
  S  S87  1  0.750202  0.291622  0.387087  1
  S  S88  1  0.833676  0.416876  0.387415  1
  S  S89  1  0.917265  0.542286  0.389042  1
  S  S90  1  0.001547  0.668212  0.392192  1
  S  S91  1  0.750251  0.041288  0.388236  1
  S  S92  1  0.833576  0.166381  0.387673  1
  S  S93  1  0.916983  0.291625  0.387799  1
  S  S94  1  0.000264  0.416945  0.388382  1
  S  S95  1  0.917118  0.040998  0.389332  1
  S  S96  1  0.000183  0.166210  0.388476  1
  S  S97  1  0.083334  0.791603  0.622309  1
  S  S98  1  0.168118  0.917548  0.614253  1
  S  S99  1  0.083334  0.540487  0.611773  1
  S  S100  1  0.167021  0.665166  0.614107  1
  S  S101  1  0.251759  0.792179  0.613977  1
  S  S102  1  0.334577  0.917170  0.611607  1
  S  S103  1  0.083333  0.291488  0.609751  1
  S  S104  1  0.166833  0.416209  0.609940  1
  S  S105  1  0.250442  0.541141  0.610442  1
  S  S106  1  0.333759  0.666512  0.610652  1
  S  S107  1  0.417415  0.791627  0.610214  1
  S  S108  1  0.500417  0.916709  0.609757  1
  S  S109  1  0.083333  0.041901  0.611323  1
  S  S110  1  0.166860  0.166727  0.609973  1
  S  S111  1  0.250180  0.291609  0.609122  1
  S  S112  1  0.333628  0.416492  0.609045  1
  S  S113  1  0.416827  0.541587  0.609158  1
  S  S114  1  0.500228  0.666715  0.609152  1
  S  S115  1  0.583333  0.791597  0.609276  1
  S  S116  1  0.666250  0.916709  0.609757  1
  S  S117  1  0.250481  0.042148  0.610746  1
  S  S118  1  0.333582  0.166908  0.609336  1
  S  S119  1  0.416837  0.291742  0.608394  1
  S  S120  1  0.500100  0.416719  0.608222  1
  S  S121  1  0.583333  0.541683  0.608699  1
  S  S122  1  0.666439  0.666715  0.609153  1
  S  S123  1  0.749251  0.791627  0.610215  1
  S  S124  1  0.832090  0.917170  0.611607  1
  S  S125  1  0.417108  0.041949  0.609820  1
  S  S126  1  0.500065  0.166887  0.608682  1
  S  S127  1  0.583333  0.291813  0.608229  1
  S  S128  1  0.666567  0.416719  0.608222  1
  S  S129  1  0.749840  0.541587  0.609157  1
  S  S130  1  0.832908  0.666512  0.610653  1
  S  S131  1  0.914908  0.792179  0.613978  1
  S  S132  1  -0.001451  0.917548  0.614253  1
  S  S133  1  0.583333  0.041896  0.609471  1
  S  S134  1  0.666601  0.166887  0.608683  1
  S  S135  1  0.749829  0.291742  0.608394  1
  S  S136  1  0.833039  0.416492  0.609045  1
  S  S137  1  0.916225  0.541142  0.610442  1
  S  S138  1  -0.000353  0.665167  0.614107  1
  S  S139  1  0.749559  0.041949  0.609820  1
  S  S140  1  0.833084  0.166909  0.609337  1
  S  S141  1  0.916485  0.291610  0.609123  1
  S  S142  1  -0.000167  0.416209  0.609940  1
  S  S143  1  0.916185  0.042148  0.610747  1
  S  S144  1  -0.000194  0.166728  0.609975  1
