# generated using pymatgen
data_CoW48S95
_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   CoW48S95
_chemical_formula_sum   'Co1 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
  Co  Co1  1  0.085445  0.792780  0.380244  1
  W  W2  1  0.001547  0.750794  0.508015  1
  W  W3  1  0.083403  0.873223  0.508691  1
  W  W4  1  -0.000074  0.500413  0.500301  1
  W  W5  1  0.083209  0.625994  0.504019  1
  W  W6  1  0.164895  0.750968  0.508578  1
  W  W7  1  0.249217  0.874612  0.504272  1
  W  W8  1  0.000066  0.250012  0.498995  1
  W  W9  1  0.083315  0.375238  0.499306  1
  W  W10  1  0.166634  0.500423  0.500284  1
  W  W11  1  0.249415  0.625617  0.501134  1
  W  W12  1  0.332427  0.750150  0.501038  1
  W  W13  1  0.416404  0.874721  0.500401  1
  W  W14  1  0.000289  -0.000684  0.501651  1
  W  W15  1  0.083323  0.124760  0.499799  1
  W  W16  1  0.166587  0.250021  0.498987  1
  W  W17  1  0.249890  0.375205  0.498704  1
  W  W18  1  0.333134  0.500338  0.498701  1
  W  W19  1  0.416394  0.625173  0.498841  1
  W  W20  1  0.499759  0.749920  0.498948  1
  W  W21  1  0.583334  0.874760  0.499255  1
  W  W22  1  0.166335  -0.000758  0.501523  1
  W  W23  1  0.249749  0.124739  0.499395  1
  W  W24  1  0.333160  0.249960  0.498332  1
  W  W25  1  0.416548  0.375131  0.497799  1
  W  W26  1  0.499916  0.500163  0.497722  1
  W  W27  1  0.583319  0.625069  0.498120  1
  W  W28  1  0.666896  0.749907  0.499004  1
  W  W29  1  0.750238  0.874671  0.500372  1
  W  W30  1  0.332992  -0.000207  0.500554  1
  W  W31  1  0.416497  0.124826  0.498770  1
  W  W32  1  0.499924  0.249940  0.497793  1
  W  W33  1  0.583331  0.375067  0.497416  1
  W  W34  1  0.666718  0.500160  0.497744  1
  W  W35  1  0.750189  0.625147  0.498941  1
  W  W36  1  0.834216  0.750066  0.501189  1
  W  W37  1  0.917551  0.874429  0.504143  1
  W  W38  1  0.499870  -0.000270  0.499334  1
  W  W39  1  0.583329  0.124785  0.498406  1
  W  W40  1  0.666737  0.249942  0.497797  1
  W  W41  1  0.750101  0.375130  0.497810  1
  W  W42  1  0.833527  0.500358  0.498746  1
  W  W43  1  0.917208  0.625710  0.501159  1
  W  W44  1  0.666790  -0.000289  0.499314  1
  W  W45  1  0.750164  0.124800  0.498776  1
  W  W46  1  0.833492  0.249951  0.498339  1
  W  W47  1  0.916749  0.375201  0.498707  1
  W  W48  1  0.833667  -0.000263  0.500520  1
  W  W49  1  0.916897  0.124740  0.499435  1
  S  S50  1  0.165155  0.913304  0.393594  1
  S  S51  1  0.083253  0.543301  0.391088  1
  S  S52  1  0.164150  0.669557  0.393544  1
  S  S53  1  0.245758  0.792339  0.393402  1
  S  S54  1  0.331900  0.915923  0.391216  1
  S  S55  1  0.083325  0.291869  0.388402  1
  S  S56  1  0.166369  0.417401  0.388724  1
  S  S57  1  0.249146  0.542788  0.389284  1
  S  S58  1  0.332162  0.667294  0.389479  1
  S  S59  1  0.415384  0.791676  0.389336  1
  S  S60  1  0.499475  0.916236  0.388923  1
  S  S61  1  0.083322  0.040674  0.390165  1
  S  S62  1  0.166442  0.166297  0.388677  1
  S  S63  1  0.249638  0.291761  0.387960  1
  S  S64  1  0.332873  0.417088  0.387676  1
  S  S65  1  0.416127  0.542094  0.387621  1
  S  S66  1  0.499582  0.666889  0.387799  1
  S  S67  1  0.583349  0.791590  0.388294  1
  S  S68  1  0.667188  0.916214  0.388894  1
  S  S69  1  0.249257  0.040619  0.389754  1
  S  S70  1  0.332881  0.166215  0.388140  1
  S  S71  1  0.416348  0.291576  0.387293  1
  S  S72  1  0.499803  0.416833  0.386914  1
  S  S73  1  0.583330  0.541937  0.387048  1
  S  S74  1  0.667064  0.666883  0.387838  1
  S  S75  1  0.751313  0.791599  0.389411  1
  S  S76  1  0.834855  0.915796  0.391218  1
  S  S77  1  0.416071  0.041019  0.388864  1
  S  S78  1  0.499786  0.166220  0.387643  1
  S  S79  1  0.583334  0.291505  0.386995  1
  S  S80  1  0.666852  0.416832  0.386924  1
  S  S81  1  0.750511  0.542100  0.387675  1
  S  S82  1  0.834395  0.667245  0.389610  1
  S  S83  1  0.920721  0.791954  0.393207  1
  S  S84  1  0.001599  0.913521  0.393803  1
  S  S85  1  0.583327  0.041074  0.388322  1
  S  S86  1  0.666881  0.166208  0.387654  1
  S  S87  1  0.750311  0.291581  0.387300  1
  S  S88  1  0.833779  0.417106  0.387701  1
  S  S89  1  0.917458  0.542857  0.389316  1
  S  S90  1  0.002305  0.669659  0.393168  1
  S  S91  1  0.750595  0.040992  0.388852  1
  S  S92  1  0.833780  0.166202  0.388161  1
  S  S93  1  0.917011  0.291746  0.387968  1
  S  S94  1  0.000249  0.417406  0.388722  1
  S  S95  1  0.917395  0.040614  0.389814  1
  S  S96  1  0.000200  0.166293  0.388695  1
  S  S97  1  0.083244  0.791615  0.620685  1
  S  S98  1  0.166867  0.917431  0.615800  1
  S  S99  1  0.083248  0.541009  0.612034  1
  S  S100  1  0.167310  0.665998  0.615462  1
  S  S101  1  0.250948  0.791337  0.615566  1
  S  S102  1  0.334218  0.916991  0.612368  1
  S  S103  1  0.083329  0.291720  0.609782  1
  S  S104  1  0.166846  0.416555  0.610129  1
  S  S105  1  0.250442  0.541601  0.610656  1
  S  S106  1  0.333698  0.666501  0.610847  1
  S  S107  1  0.416953  0.791245  0.610713  1
  S  S108  1  0.500272  0.916511  0.610330  1
  S  S109  1  0.083349  0.041912  0.611523  1
  S  S110  1  0.166691  0.166814  0.610085  1
  S  S111  1  0.250114  0.291768  0.609295  1
  S  S112  1  0.333544  0.416744  0.608999  1
  S  S113  1  0.416877  0.541630  0.609090  1
  S  S114  1  0.500114  0.666463  0.609295  1
  S  S115  1  0.583318  0.791339  0.609686  1
  S  S116  1  0.666400  0.916498  0.610319  1
  S  S117  1  0.249885  0.041935  0.611093  1
  S  S118  1  0.333343  0.166799  0.609427  1
  S  S119  1  0.416732  0.291776  0.608535  1
  S  S120  1  0.500074  0.416735  0.608231  1
  S  S121  1  0.583314  0.541618  0.608513  1
  S  S122  1  0.666476  0.666457  0.609368  1
  S  S123  1  0.749684  0.791266  0.610825  1
  S  S124  1  0.832535  0.916844  0.612146  1
  S  S125  1  0.416874  0.041844  0.610202  1
  S  S126  1  0.500038  0.166786  0.608881  1
  S  S127  1  0.583331  0.291776  0.608220  1
  S  S128  1  0.666572  0.416725  0.608243  1
  S  S129  1  0.749753  0.541603  0.609141  1
  S  S130  1  0.832892  0.666449  0.610995  1
  S  S131  1  0.915890  0.791267  0.615656  1
  S  S132  1  -0.000392  0.917420  0.615723  1
  S  S133  1  0.583337  0.041692  0.609627  1
  S  S134  1  0.666623  0.166773  0.608876  1
  S  S135  1  0.749921  0.291778  0.608541  1
  S  S136  1  0.833116  0.416746  0.609009  1
  S  S137  1  0.916201  0.541670  0.610720  1
  S  S138  1  -0.000728  0.666304  0.615623  1
  S  S139  1  0.749786  0.041797  0.610185  1
  S  S140  1  0.833300  0.166799  0.609444  1
  S  S141  1  0.916537  0.291754  0.609297  1
  S  S142  1  -0.000226  0.416549  0.610129  1
  S  S143  1  0.916661  0.041941  0.611160  1
  S  S144  1  -0.000035  0.166817  0.610112  1
