# generated using pymatgen
data_MoW48S95
_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   MoW48S95
_chemical_formula_sum   'Mo1 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
  Mo  Mo1  1  0.083295  0.793016  0.378790  1
  W  W2  1  0.002564  0.751064  0.512566  1
  W  W3  1  0.083332  0.872259  0.513363  1
  W  W4  1  -0.000121  0.499975  0.500596  1
  W  W5  1  0.083334  0.624631  0.506110  1
  W  W6  1  0.164103  0.751062  0.512544  1
  W  W7  1  0.250170  0.875224  0.505544  1
  W  W8  1  0.000027  0.249970  0.498343  1
  W  W9  1  0.083333  0.375035  0.498875  1
  W  W10  1  0.166788  0.499975  0.500596  1
  W  W11  1  0.249376  0.625588  0.502067  1
  W  W12  1  0.331792  0.750119  0.500942  1
  W  W13  1  0.416574  0.874745  0.499619  1
  W  W14  1  0.000247  -0.000579  0.502480  1
  W  W15  1  0.083334  0.124794  0.499573  1
  W  W16  1  0.166640  0.249970  0.498343  1
  W  W17  1  0.249999  0.375033  0.498328  1
  W  W18  1  0.333168  0.500264  0.498527  1
  W  W19  1  0.416329  0.625174  0.498386  1
  W  W20  1  0.499651  0.749875  0.497627  1
  W  W21  1  0.583333  0.874752  0.497900  1
  W  W22  1  0.166421  -0.000576  0.502485  1
  W  W23  1  0.249844  0.124851  0.498975  1
  W  W24  1  0.333273  0.249988  0.497874  1
  W  W25  1  0.416606  0.375130  0.497532  1
  W  W26  1  0.499927  0.500147  0.497405  1
  W  W27  1  0.583333  0.625059  0.497251  1
  W  W28  1  0.667016  0.749875  0.497626  1
  W  W29  1  0.750094  0.874745  0.499619  1
  W  W30  1  0.333257  -0.000018  0.500370  1
  W  W31  1  0.416622  0.124991  0.498310  1
  W  W32  1  0.499986  0.250049  0.497492  1
  W  W33  1  0.583333  0.375106  0.497236  1
  W  W34  1  0.666740  0.500147  0.497405  1
  W  W35  1  0.750338  0.625175  0.498386  1
  W  W36  1  0.834877  0.750120  0.500940  1
  W  W37  1  0.916496  0.875225  0.505545  1
  W  W38  1  0.499940  -0.000178  0.498537  1
  W  W39  1  0.583333  0.124945  0.497964  1
  W  W40  1  0.666681  0.250050  0.497492  1
  W  W41  1  0.750061  0.375130  0.497532  1
  W  W42  1  0.833498  0.500263  0.498527  1
  W  W43  1  0.917290  0.625585  0.502069  1
  W  W44  1  0.666728  -0.000178  0.498537  1
  W  W45  1  0.750045  0.124991  0.498310  1
  W  W46  1  0.833394  0.249988  0.497873  1
  W  W47  1  0.916668  0.375033  0.498328  1
  W  W48  1  0.833411  -0.000018  0.500369  1
  W  W49  1  0.916824  0.124850  0.498973  1
  S  S50  1  0.164801  0.912562  0.395678  1
  S  S51  1  0.083334  0.542904  0.391922  1
  S  S52  1  0.163209  0.670084  0.395350  1
  S  S53  1  0.243174  0.792793  0.393896  1
  S  S54  1  0.331910  0.916095  0.391173  1
  S  S55  1  0.083333  0.291826  0.387711  1
  S  S56  1  0.166490  0.417284  0.388446  1
  S  S57  1  0.249008  0.542977  0.389647  1
  S  S58  1  0.331530  0.667276  0.389668  1
  S  S59  1  0.414580  0.791544  0.388641  1
  S  S60  1  0.499410  0.916382  0.387861  1
  S  S61  1  0.083334  0.040288  0.390687  1
  S  S62  1  0.166407  0.166199  0.388143  1
  S  S63  1  0.249799  0.291703  0.387347  1
  S  S64  1  0.332931  0.417077  0.387352  1
  S  S65  1  0.416069  0.542020  0.387290  1
  S  S66  1  0.499400  0.666678  0.386874  1
  S  S67  1  0.583333  0.791529  0.386937  1
  S  S68  1  0.667257  0.916382  0.387861  1
  S  S69  1  0.249041  0.040483  0.389839  1
  S  S70  1  0.332965  0.166280  0.387624  1
  S  S71  1  0.416468  0.291661  0.386859  1
  S  S72  1  0.499838  0.416796  0.386604  1
  S  S73  1  0.583333  0.541750  0.386543  1
  S  S74  1  0.667267  0.666678  0.386874  1
  S  S75  1  0.752087  0.791544  0.388639  1
  S  S76  1  0.834757  0.916095  0.391171  1
  S  S77  1  0.416049  0.041247  0.388322  1
  S  S78  1  0.499874  0.166435  0.387156  1
  S  S79  1  0.583333  0.291641  0.386623  1
  S  S80  1  0.666829  0.416796  0.386604  1
  S  S81  1  0.750598  0.542020  0.387290  1
  S  S82  1  0.835138  0.667276  0.389667  1
  S  S83  1  0.923503  0.792798  0.393896  1
  S  S84  1  0.001866  0.912555  0.395669  1
  S  S85  1  0.583334  0.041327  0.387655  1
  S  S86  1  0.666793  0.166435  0.387156  1
  S  S87  1  0.750199  0.291661  0.386859  1
  S  S88  1  0.833735  0.417077  0.387352  1
  S  S89  1  0.917658  0.542975  0.389647  1
  S  S90  1  0.003459  0.670082  0.395363  1
  S  S91  1  0.750618  0.041247  0.388321  1
  S  S92  1  0.833702  0.166280  0.387623  1
  S  S93  1  0.916868  0.291703  0.387346  1
  S  S94  1  0.000176  0.417284  0.388447  1
  S  S95  1  0.917626  0.040482  0.389836  1
  S  S96  1  0.000260  0.166199  0.388142  1
  S  S97  1  0.083335  0.791579  0.627912  1
  S  S98  1  0.168942  0.918214  0.617303  1
  S  S99  1  0.083335  0.539512  0.612987  1
  S  S100  1  0.167106  0.664346  0.617572  1
  S  S101  1  0.252121  0.792281  0.616924  1
  S  S102  1  0.335536  0.917389  0.612544  1
  S  S103  1  0.083333  0.291517  0.609166  1
  S  S104  1  0.166961  0.415946  0.610002  1
  S  S105  1  0.250714  0.541229  0.610970  1
  S  S106  1  0.333992  0.666599  0.610881  1
  S  S107  1  0.417053  0.791090  0.609680  1
  S  S108  1  0.500609  0.916448  0.609277  1
  S  S109  1  0.083332  0.042312  0.612028  1
  S  S110  1  0.166764  0.166972  0.609635  1
  S  S111  1  0.250166  0.291601  0.608858  1
  S  S112  1  0.333592  0.416611  0.608777  1
  S  S113  1  0.416977  0.541663  0.608780  1
  S  S114  1  0.500231  0.666625  0.608351  1
  S  S115  1  0.583334  0.791282  0.608177  1
  S  S116  1  0.666059  0.916448  0.609276  1
  S  S117  1  0.250339  0.042394  0.611117  1
  S  S118  1  0.333462  0.166913  0.609036  1
  S  S119  1  0.416773  0.291788  0.608308  1
  S  S120  1  0.500093  0.416748  0.608087  1
  S  S121  1  0.583333  0.541759  0.608010  1
  S  S122  1  0.666436  0.666625  0.608350  1
  S  S123  1  0.749614  0.791089  0.609678  1
  S  S124  1  0.831130  0.917390  0.612547  1
  S  S125  1  0.417241  0.042080  0.609752  1
  S  S126  1  0.500123  0.166916  0.608613  1
  S  S127  1  0.583334  0.291826  0.608118  1
  S  S128  1  0.666574  0.416748  0.608087  1
  S  S129  1  0.749689  0.541664  0.608780  1
  S  S130  1  0.832674  0.666599  0.610881  1
  S  S131  1  0.914540  0.792283  0.616927  1
  S  S132  1  -0.002272  0.918214  0.617303  1
  S  S133  1  0.583334  0.041720  0.608973  1
  S  S134  1  0.666544  0.166916  0.608612  1
  S  S135  1  0.749894  0.291788  0.608308  1
  S  S136  1  0.833074  0.416611  0.608777  1
  S  S137  1  0.915952  0.541227  0.610971  1
  S  S138  1  -0.000439  0.664338  0.617575  1
  S  S139  1  0.749427  0.042080  0.609752  1
  S  S140  1  0.833206  0.166912  0.609034  1
  S  S141  1  0.916501  0.291601  0.608858  1
  S  S142  1  -0.000294  0.415946  0.610002  1
  S  S143  1  0.916331  0.042392  0.611114  1
  S  S144  1  -0.000097  0.166972  0.609634  1
