# 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  -0.000180  0.750003  0.506475  1
  W  W2  1  0.083333  0.875138  0.506581  1
  W  W3  1  -0.000108  0.500038  0.499834  1
  W  W4  1  0.083333  0.624524  0.502560  1
  W  W5  1  0.166846  0.750003  0.506475  1
  W  W6  1  0.250479  0.875177  0.502505  1
  W  W7  1  0.000188  0.249878  0.498565  1
  W  W8  1  0.083334  0.374878  0.498851  1
  W  W9  1  0.166774  0.500038  0.499834  1
  W  W10  1  0.249328  0.625328  0.501069  1
  W  W11  1  0.332779  0.750302  0.500887  1
  W  W12  1  0.416712  0.874891  0.499498  1
  W  W13  1  -0.000026  -0.000667  0.501429  1
  W  W14  1  0.083333  0.124952  0.499532  1
  W  W15  1  0.166479  0.249878  0.498565  1
  W  W16  1  0.249990  0.375140  0.498435  1
  W  W17  1  0.333154  0.499904  0.498589  1
  W  W18  1  0.416702  0.625135  0.498775  1
  W  W19  1  0.500009  0.750176  0.498267  1
  W  W20  1  0.583334  0.874866  0.498360  1
  W  W21  1  0.166693  -0.000667  0.501430  1
  W  W22  1  0.250244  0.124909  0.499005  1
  W  W23  1  0.333221  0.249967  0.498096  1
  W  W24  1  0.416629  0.375098  0.497812  1
  W  W25  1  0.499912  0.500312  0.497818  1
  W  W26  1  0.583333  0.624950  0.497851  1
  W  W27  1  0.666657  0.750176  0.498267  1
  W  W28  1  0.749955  0.874891  0.499497  1
  W  W29  1  0.333296  0.000056  0.499840  1
  W  W30  1  0.416484  0.124857  0.498454  1
  W  W31  1  0.500092  0.250037  0.497834  1
  W  W32  1  0.583333  0.375022  0.497622  1
  W  W33  1  0.666754  0.500312  0.497818  1
  W  W34  1  0.749964  0.625135  0.498775  1
  W  W35  1  0.833888  0.750302  0.500887  1
  W  W36  1  0.916187  0.875177  0.502505  1
  W  W37  1  0.500186  -0.000071  0.498684  1
  W  W38  1  0.583333  0.124922  0.498208  1
  W  W39  1  0.666575  0.250037  0.497834  1
  W  W40  1  0.750038  0.375098  0.497812  1
  W  W41  1  0.833513  0.499905  0.498588  1
  W  W42  1  0.917338  0.625328  0.501070  1
  W  W43  1  0.666481  -0.000071  0.498683  1
  W  W44  1  0.750183  0.124857  0.498453  1
  W  W45  1  0.833445  0.249967  0.498095  1
  W  W46  1  0.916677  0.375140  0.498434  1
  W  W47  1  0.833371  0.000057  0.499839  1
  W  W48  1  0.916423  0.124909  0.499004  1
  C  C49  1  0.083333  0.791612  0.445274  1
  S  S50  1  0.165796  0.914721  0.392461  1
  S  S51  1  0.083333  0.542360  0.389814  1
  S  S52  1  0.165060  0.668323  0.392332  1
  S  S53  1  0.247542  0.792049  0.392193  1
  S  S54  1  0.332587  0.916347  0.389637  1
  S  S55  1  0.083333  0.291683  0.387819  1
  S  S56  1  0.166400  0.417055  0.388299  1
  S  S57  1  0.249412  0.542417  0.389048  1
  S  S58  1  0.332239  0.667176  0.389530  1
  S  S59  1  0.415678  0.791707  0.388653  1
  S  S60  1  0.499618  0.916542  0.388008  1
  S  S61  1  0.083334  0.040659  0.390141  1
  S  S62  1  0.166517  0.166197  0.388329  1
  S  S63  1  0.249717  0.291669  0.387759  1
  S  S64  1  0.333040  0.416894  0.387451  1
  S  S65  1  0.416165  0.542026  0.387657  1
  S  S66  1  0.499622  0.666856  0.387481  1
  S  S67  1  0.583333  0.791702  0.387254  1
  S  S68  1  0.667048  0.916542  0.388006  1
  S  S69  1  0.249479  0.040927  0.389322  1
  S  S70  1  0.333126  0.166386  0.387680  1
  S  S71  1  0.416518  0.291619  0.387333  1
  S  S72  1  0.499890  0.416898  0.387166  1
  S  S73  1  0.583333  0.541845  0.386992  1
  S  S74  1  0.667044  0.666857  0.387481  1
  S  S75  1  0.750988  0.791707  0.388653  1
  S  S76  1  0.834080  0.916347  0.389636  1
  S  S77  1  0.416373  0.041240  0.388247  1
  S  S78  1  0.499853  0.166412  0.387600  1
  S  S79  1  0.583333  0.291655  0.387051  1
  S  S80  1  0.666777  0.416898  0.387166  1
  S  S81  1  0.750502  0.542026  0.387656  1
  S  S82  1  0.834427  0.667176  0.389529  1
  S  S83  1  0.919124  0.792049  0.392192  1
  S  S84  1  0.000872  0.914721  0.392461  1
  S  S85  1  0.583334  0.041433  0.387651  1
  S  S86  1  0.666814  0.166412  0.387600  1
  S  S87  1  0.750148  0.291619  0.387333  1
  S  S88  1  0.833626  0.416894  0.387450  1
  S  S89  1  0.917255  0.542417  0.389048  1
  S  S90  1  0.001606  0.668323  0.392332  1
  S  S91  1  0.750294  0.041240  0.388246  1
  S  S92  1  0.833541  0.166386  0.387679  1
  S  S93  1  0.916949  0.291670  0.387758  1
  S  S94  1  0.000267  0.417055  0.388299  1
  S  S95  1  0.917188  0.040927  0.389322  1
  S  S96  1  0.000150  0.166197  0.388329  1
  S  S97  1  0.083333  0.791607  0.622343  1
  S  S98  1  0.168130  0.917597  0.614581  1
  S  S99  1  0.083333  0.540475  0.611772  1
  S  S100  1  0.167043  0.665128  0.614427  1
  S  S101  1  0.251867  0.792172  0.614384  1
  S  S102  1  0.334629  0.917156  0.611631  1
  S  S103  1  0.083333  0.291531  0.609450  1
  S  S104  1  0.166781  0.416268  0.609750  1
  S  S105  1  0.250437  0.541191  0.610397  1
  S  S106  1  0.333850  0.666492  0.610669  1
  S  S107  1  0.417466  0.791587  0.610119  1
  S  S108  1  0.500414  0.916631  0.609537  1
  S  S109  1  0.083333  0.042007  0.611231  1
  S  S110  1  0.166837  0.166754  0.609691  1
  S  S111  1  0.250067  0.291642  0.608915  1
  S  S112  1  0.333535  0.416537  0.609006  1
  S  S113  1  0.416798  0.541623  0.609044  1
  S  S114  1  0.500274  0.666745  0.608917  1
  S  S115  1  0.583333  0.791583  0.609048  1
  S  S116  1  0.666254  0.916631  0.609536  1
  S  S117  1  0.250430  0.042138  0.610658  1
  S  S118  1  0.333518  0.166892  0.609255  1
  S  S119  1  0.416738  0.291740  0.608441  1
  S  S120  1  0.500053  0.416793  0.608265  1
  S  S121  1  0.583333  0.541749  0.608571  1
  S  S122  1  0.666393  0.666745  0.608917  1
  S  S123  1  0.749200  0.791588  0.610118  1
  S  S124  1  0.832037  0.917156  0.611630  1
  S  S125  1  0.417105  0.041845  0.609691  1
  S  S126  1  0.500022  0.166782  0.608698  1
  S  S127  1  0.583333  0.291807  0.608447  1
  S  S128  1  0.666614  0.416793  0.608265  1
  S  S129  1  0.749868  0.541623  0.609044  1
  S  S130  1  0.832816  0.666492  0.610668  1
  S  S131  1  0.914799  0.792172  0.614384  1
  S  S132  1  -0.001464  0.917597  0.614580  1
  S  S133  1  0.583334  0.041780  0.609336  1
  S  S134  1  0.666645  0.166782  0.608698  1
  S  S135  1  0.749929  0.291740  0.608441  1
  S  S136  1  0.833132  0.416537  0.609005  1
  S  S137  1  0.916229  0.541191  0.610398  1
  S  S138  1  -0.000376  0.665129  0.614427  1
  S  S139  1  0.749562  0.041845  0.609690  1
  S  S140  1  0.833149  0.166892  0.609254  1
  S  S141  1  0.916600  0.291642  0.608915  1
  S  S142  1  -0.000114  0.416268  0.609749  1
  S  S143  1  0.916237  0.042138  0.610657  1
  S  S144  1  -0.000170  0.166754  0.609691  1
