# 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  0.000707  0.750330  0.505477  1
  W  W2  1  0.083333  0.874268  0.505500  1
  W  W3  1  -0.000027  0.499717  0.499696  1
  W  W4  1  0.083333  0.624371  0.501863  1
  W  W5  1  0.165959  0.750330  0.505477  1
  W  W6  1  0.250573  0.875278  0.501904  1
  W  W7  1  0.000053  0.249811  0.498910  1
  W  W8  1  0.083333  0.374741  0.499112  1
  W  W9  1  0.166694  0.499717  0.499696  1
  W  W10  1  0.249431  0.624983  0.500728  1
  W  W11  1  0.333038  0.750393  0.500674  1
  W  W12  1  0.416861  0.875097  0.499473  1
  W  W13  1  -0.000275  -0.000446  0.500950  1
  W  W14  1  0.083333  0.124784  0.499506  1
  W  W15  1  0.166614  0.249811  0.498910  1
  W  W16  1  0.250008  0.374900  0.498751  1
  W  W17  1  0.333243  0.499908  0.498773  1
  W  W18  1  0.416540  0.625101  0.498871  1
  W  W19  1  0.500010  0.750113  0.498559  1
  W  W20  1  0.583333  0.875045  0.498587  1
  W  W21  1  0.166942  -0.000446  0.500949  1
  W  W22  1  0.250135  0.124955  0.499109  1
  W  W23  1  0.333327  0.249978  0.498498  1
  W  W24  1  0.416648  0.375063  0.498285  1
  W  W25  1  0.499947  0.500174  0.498165  1
  W  W26  1  0.583333  0.625051  0.498166  1
  W  W27  1  0.666656  0.750114  0.498559  1
  W  W28  1  0.749806  0.875097  0.499473  1
  W  W29  1  0.333537  0.000135  0.499652  1
  W  W30  1  0.416680  0.125067  0.498675  1
  W  W31  1  0.500055  0.250127  0.498355  1
  W  W32  1  0.583333  0.375112  0.498178  1
  W  W33  1  0.666720  0.500174  0.498165  1
  W  W34  1  0.750127  0.625101  0.498872  1
  W  W35  1  0.833628  0.750393  0.500675  1
  W  W36  1  0.916094  0.875278  0.501904  1
  W  W37  1  0.500136  0.000115  0.498768  1
  W  W38  1  0.583333  0.125111  0.498497  1
  W  W39  1  0.666612  0.250127  0.498355  1
  W  W40  1  0.750019  0.375063  0.498285  1
  W  W41  1  0.833424  0.499908  0.498773  1
  W  W42  1  0.917236  0.624983  0.500728  1
  W  W43  1  0.666531  0.000115  0.498768  1
  W  W44  1  0.749987  0.125067  0.498675  1
  W  W45  1  0.833339  0.249978  0.498497  1
  W  W46  1  0.916659  0.374900  0.498751  1
  W  W47  1  0.833129  0.000135  0.499652  1
  W  W48  1  0.916532  0.124955  0.499109  1
  C  C49  1  0.083333  0.791649  0.442184  1
  S  S50  1  0.165896  0.914910  0.391982  1
  S  S51  1  0.083333  0.541863  0.389481  1
  S  S52  1  0.165247  0.668099  0.391885  1
  S  S53  1  0.247822  0.792003  0.391887  1
  S  S54  1  0.332959  0.916546  0.389391  1
  S  S55  1  0.083333  0.291504  0.388104  1
  S  S56  1  0.166503  0.416667  0.388315  1
  S  S57  1  0.249502  0.542037  0.388879  1
  S  S58  1  0.332340  0.667120  0.389376  1
  S  S59  1  0.415952  0.791811  0.388677  1
  S  S60  1  0.499820  0.916712  0.388009  1
  S  S61  1  0.083333  0.040748  0.389747  1
  S  S62  1  0.166534  0.166278  0.388347  1
  S  S63  1  0.249816  0.291548  0.387887  1
  S  S64  1  0.333106  0.416721  0.387704  1
  S  S65  1  0.416269  0.541906  0.387745  1
  S  S66  1  0.499665  0.666814  0.387661  1
  S  S67  1  0.583333  0.791745  0.387592  1
  S  S68  1  0.666846  0.916712  0.388009  1
  S  S69  1  0.249752  0.041161  0.389042  1
  S  S70  1  0.333204  0.166522  0.387851  1
  S  S71  1  0.416598  0.291671  0.387557  1
  S  S72  1  0.499922  0.416797  0.387398  1
  S  S73  1  0.583333  0.541800  0.387253  1
  S  S74  1  0.667002  0.666814  0.387662  1
  S  S75  1  0.750715  0.791810  0.388677  1
  S  S76  1  0.833708  0.916546  0.389391  1
  S  S77  1  0.416545  0.041579  0.388136  1
  S  S78  1  0.499949  0.166697  0.387691  1
  S  S79  1  0.583333  0.291755  0.387442  1
  S  S80  1  0.666745  0.416797  0.387397  1
  S  S81  1  0.750398  0.541906  0.387745  1
  S  S82  1  0.834327  0.667120  0.389376  1
  S  S83  1  0.918844  0.792003  0.391887  1
  S  S84  1  0.000770  0.914910  0.391982  1
  S  S85  1  0.583333  0.041710  0.387730  1
  S  S86  1  0.666718  0.166697  0.387691  1
  S  S87  1  0.750069  0.291671  0.387557  1
  S  S88  1  0.833560  0.416721  0.387704  1
  S  S89  1  0.917165  0.542037  0.388879  1
  S  S90  1  0.001420  0.668099  0.391885  1
  S  S91  1  0.750122  0.041579  0.388136  1
  S  S92  1  0.833463  0.166522  0.387851  1
  S  S93  1  0.916851  0.291548  0.387887  1
  S  S94  1  0.000164  0.416667  0.388315  1
  S  S95  1  0.916915  0.041161  0.389042  1
  S  S96  1  0.000133  0.166278  0.388347  1
  S  S97  1  0.083333  0.791619  0.622371  1
  S  S98  1  0.168017  0.917522  0.613472  1
  S  S99  1  0.083333  0.540414  0.611410  1
  S  S100  1  0.166919  0.665177  0.613345  1
  S  S101  1  0.251606  0.792185  0.613373  1
  S  S102  1  0.334569  0.917231  0.611342  1
  S  S103  1  0.083333  0.291391  0.609845  1
  S  S104  1  0.166794  0.416146  0.610028  1
  S  S105  1  0.250307  0.541062  0.610337  1
  S  S106  1  0.333625  0.666512  0.610481  1
  S  S107  1  0.417411  0.791743  0.610177  1
  S  S108  1  0.500429  0.916850  0.609752  1
  S  S109  1  0.083333  0.041780  0.610871  1
  S  S110  1  0.166779  0.166630  0.609966  1
  S  S111  1  0.250114  0.291538  0.609485  1
  S  S112  1  0.333485  0.416513  0.609414  1
  S  S113  1  0.416782  0.541618  0.609341  1
  S  S114  1  0.500171  0.666679  0.609237  1
  S  S115  1  0.583333  0.791677  0.609331  1
  S  S116  1  0.666238  0.916850  0.609752  1
  S  S117  1  0.250511  0.042090  0.610519  1
  S  S118  1  0.333528  0.166842  0.609588  1
  S  S119  1  0.416726  0.291768  0.609142  1
  S  S120  1  0.500030  0.416817  0.608963  1
  S  S121  1  0.583333  0.541742  0.608934  1
  S  S122  1  0.666496  0.666679  0.609237  1
  S  S123  1  0.749255  0.791743  0.610177  1
  S  S124  1  0.832097  0.917231  0.611342  1
  S  S125  1  0.417120  0.041981  0.609859  1
  S  S126  1  0.500075  0.166881  0.609289  1
  S  S127  1  0.583333  0.291878  0.609156  1
  S  S128  1  0.666637  0.416817  0.608963  1
  S  S129  1  0.749885  0.541618  0.609341  1
  S  S130  1  0.833043  0.666512  0.610482  1
  S  S131  1  0.915060  0.792186  0.613374  1
  S  S132  1  -0.001350  0.917522  0.613472  1
  S  S133  1  0.583333  0.041908  0.609528  1
  S  S134  1  0.666592  0.166881  0.609289  1
  S  S135  1  0.749941  0.291768  0.609142  1
  S  S136  1  0.833182  0.416513  0.609414  1
  S  S137  1  0.916360  0.541062  0.610337  1
  S  S138  1  -0.000252  0.665177  0.613345  1
  S  S139  1  0.749547  0.041981  0.609859  1
  S  S140  1  0.833139  0.166843  0.609588  1
  S  S141  1  0.916553  0.291538  0.609485  1
  S  S142  1  -0.000127  0.416145  0.610028  1
  S  S143  1  0.916156  0.042090  0.610519  1
  S  S144  1  -0.000112  0.166630  0.609966  1
