# generated using pymatgen
data_W48S95
_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   W48S95
_chemical_formula_sum   'W48 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  0.003592  0.751825  0.507845  1
  W  W2  1  0.083333  0.871382  0.507915  1
  W  W3  1  0.000129  0.500728  0.500241  1
  W  W4  1  0.083333  0.626831  0.504013  1
  W  W5  1  0.163074  0.751825  0.507845  1
  W  W6  1  0.248230  0.874094  0.503844  1
  W  W7  1  0.000078  0.249919  0.498647  1
  W  W8  1  0.083333  0.375312  0.499079  1
  W  W9  1  0.166537  0.500728  0.500241  1
  W  W10  1  0.249295  0.626034  0.500927  1
  W  W11  1  0.332053  0.750076  0.500687  1
  W  W12  1  0.416042  0.874695  0.499971  1
  W  W13  1  0.000632  -0.001040  0.501207  1
  W  W14  1  0.083333  0.124578  0.499350  1
  W  W15  1  0.166589  0.249919  0.498647  1
  W  W16  1  0.249819  0.375256  0.498730  1
  W  W17  1  0.332922  0.500513  0.498786  1
  W  W18  1  0.416295  0.625290  0.498677  1
  W  W19  1  0.499596  0.750086  0.498456  1
  W  W20  1  0.583333  0.874842  0.498863  1
  W  W21  1  0.166035  -0.001040  0.501207  1
  W  W22  1  0.249697  0.124474  0.499219  1
  W  W23  1  0.333117  0.249899  0.498575  1
  W  W24  1  0.416478  0.375160  0.498281  1
  W  W25  1  0.499862  0.500209  0.498000  1
  W  W26  1  0.583333  0.625209  0.497866  1
  W  W27  1  0.667070  0.750086  0.498456  1
  W  W28  1  0.750624  0.874695  0.499972  1
  W  W29  1  0.332719  -0.000503  0.500354  1
  W  W30  1  0.416424  0.124720  0.499085  1
  W  W31  1  0.499898  0.249936  0.498530  1
  W  W32  1  0.583333  0.375086  0.498147  1
  W  W33  1  0.666805  0.500209  0.498000  1
  W  W34  1  0.750372  0.625289  0.498678  1
  W  W35  1  0.834614  0.750076  0.500688  1
  W  W36  1  0.918437  0.874094  0.503844  1
  W  W37  1  0.499777  -0.000298  0.499358  1
  W  W38  1  0.583333  0.124809  0.498977  1
  W  W39  1  0.666768  0.249935  0.498530  1
  W  W40  1  0.750188  0.375161  0.498280  1
  W  W41  1  0.833744  0.500512  0.498786  1
  W  W42  1  0.917372  0.626034  0.500927  1
  W  W43  1  0.666889  -0.000298  0.499358  1
  W  W44  1  0.750242  0.124721  0.499085  1
  W  W45  1  0.833549  0.249899  0.498575  1
  W  W46  1  0.916848  0.375256  0.498730  1
  W  W47  1  0.833948  -0.000504  0.500355  1
  W  W48  1  0.916970  0.124474  0.499219  1
  S  S49  1  0.163875  0.912651  0.393616  1
  S  S50  1  0.083333  0.543998  0.391099  1
  S  S51  1  0.163917  0.670782  0.393568  1
  S  S52  1  0.244449  0.791671  0.393414  1
  S  S53  1  0.331081  0.915550  0.390964  1
  S  S54  1  0.083333  0.291877  0.388083  1
  S  S55  1  0.166417  0.417615  0.388685  1
  S  S56  1  0.248987  0.543058  0.389192  1
  S  S57  1  0.331958  0.667349  0.389178  1
  S  S58  1  0.414972  0.791727  0.388893  1
  S  S59  1  0.499297  0.916352  0.388715  1
  S  S60  1  0.083333  0.040373  0.389662  1
  S  S61  1  0.166522  0.166138  0.388307  1
  S  S62  1  0.249795  0.291767  0.387937  1
  S  S63  1  0.332906  0.417136  0.387912  1
  S  S64  1  0.416079  0.542070  0.387714  1
  S  S65  1  0.499498  0.666927  0.387510  1
  S  S66  1  0.583333  0.791720  0.387822  1
  S  S67  1  0.667370  0.916352  0.388715  1
  S  S68  1  0.249115  0.040292  0.389474  1
  S  S69  1  0.332957  0.166157  0.388292  1
  S  S70  1  0.416448  0.291572  0.387813  1
  S  S71  1  0.499845  0.416744  0.387441  1
  S  S72  1  0.583333  0.541846  0.387203  1
  S  S73  1  0.667169  0.666927  0.387511  1
  S  S74  1  0.751695  0.791727  0.388893  1
  S  S75  1  0.835586  0.915550  0.390964  1
  S  S76  1  0.415936  0.040988  0.388986  1
  S  S77  1  0.499816  0.166297  0.388244  1
  S  S78  1  0.583333  0.291507  0.387747  1
  S  S79  1  0.666822  0.416744  0.387441  1
  S  S80  1  0.750588  0.542070  0.387714  1
  S  S81  1  0.834708  0.667349  0.389178  1
  S  S82  1  0.922218  0.791671  0.393414  1
  S  S83  1  0.002792  0.912651  0.393616  1
  S  S84  1  0.583333  0.041251  0.388618  1
  S  S85  1  0.666851  0.166296  0.388244  1
  S  S86  1  0.750219  0.291572  0.387813  1
  S  S87  1  0.833761  0.417136  0.387912  1
  S  S88  1  0.917680  0.543058  0.389193  1
  S  S89  1  0.002750  0.670782  0.393568  1
  S  S90  1  0.750730  0.040988  0.388986  1
  S  S91  1  0.833710  0.166157  0.388293  1
  S  S92  1  0.916872  0.291767  0.387937  1
  S  S93  1  0.000250  0.417615  0.388685  1
  S  S94  1  0.917552  0.040292  0.389474  1
  S  S95  1  0.000145  0.166138  0.388307  1
  S  S96  1  0.083333  0.791637  0.622097  1
  S  S97  1  0.165556  0.916721  0.615103  1
  S  S98  1  0.083333  0.541654  0.611978  1
  S  S99  1  0.167441  0.667505  0.615043  1
  S  S100  1  0.249670  0.790685  0.614860  1
  S  S101  1  0.333465  0.916516  0.611833  1
  S  S102  1  0.083333  0.291650  0.609359  1
  S  S103  1  0.166711  0.416706  0.609974  1
  S  S104  1  0.250214  0.541997  0.610625  1
  S  S105  1  0.333644  0.666646  0.610610  1
  S  S106  1  0.416652  0.791317  0.610247  1
  S  S107  1  0.500079  0.916349  0.609956  1
  S  S108  1  0.083333  0.041793  0.611107  1
  S  S109  1  0.166620  0.166675  0.609672  1
  S  S110  1  0.249905  0.291725  0.609260  1
  S  S111  1  0.333297  0.416908  0.609199  1
  S  S112  1  0.416738  0.541819  0.609088  1
  S  S113  1  0.500094  0.666708  0.608890  1
  S  S114  1  0.583333  0.791406  0.609080  1
  S  S115  1  0.666587  0.916349  0.609955  1
  S  S116  1  0.249672  0.041575  0.610874  1
  S  S117  1  0.333103  0.166608  0.609557  1
  S  S118  1  0.416532  0.291769  0.609082  1
  S  S119  1  0.499970  0.416857  0.608777  1
  S  S120  1  0.583333  0.541865  0.608543  1
  S  S121  1  0.666573  0.666708  0.608890  1
  S  S122  1  0.750015  0.791317  0.610248  1
  S  S123  1  0.833202  0.916516  0.611833  1
  S  S124  1  0.416596  0.041562  0.610204  1
  S  S125  1  0.499912  0.166668  0.609496  1
  S  S126  1  0.583333  0.291782  0.609065  1
  S  S127  1  0.666697  0.416857  0.608777  1
  S  S128  1  0.749929  0.541818  0.609088  1
  S  S129  1  0.833023  0.666646  0.610610  1
  S  S130  1  0.916997  0.790685  0.614860  1
  S  S131  1  0.001111  0.916721  0.615103  1
  S  S132  1  0.583333  0.041491  0.609804  1
  S  S133  1  0.666755  0.166668  0.609496  1
  S  S134  1  0.750134  0.291769  0.609082  1
  S  S135  1  0.833370  0.416908  0.609199  1
  S  S136  1  0.916453  0.541997  0.610625  1
  S  S137  1  -0.000774  0.667505  0.615043  1
  S  S138  1  0.750071  0.041562  0.610204  1
  S  S139  1  0.833564  0.166608  0.609557  1
  S  S140  1  0.916762  0.291725  0.609260  1
  S  S141  1  -0.000044  0.416706  0.609974  1
  S  S142  1  0.916995  0.041575  0.610874  1
  S  S143  1  0.000047  0.166675  0.609672  1
