# 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  0.080985  0.792910  0.380955  1
  W  W2  1  0.001700  0.750970  0.508795  1
  W  W3  1  0.083176  0.873241  0.508821  1
  W  W4  1  0.000018  0.500335  0.500225  1
  W  W5  1  0.083465  0.625939  0.503934  1
  W  W6  1  0.165036  0.750800  0.507944  1
  W  W7  1  0.249116  0.874435  0.503919  1
  W  W8  1  0.000096  0.250080  0.498814  1
  W  W9  1  0.083414  0.375252  0.499183  1
  W  W10  1  0.166807  0.500340  0.500202  1
  W  W11  1  0.249505  0.625632  0.500947  1
  W  W12  1  0.332471  0.750027  0.500853  1
  W  W13  1  0.416462  0.874678  0.500051  1
  W  W14  1  0.000284  -0.000644  0.501450  1
  W  W15  1  0.083373  0.124902  0.499590  1
  W  W16  1  0.166696  0.250078  0.498867  1
  W  W17  1  0.250029  0.375167  0.498729  1
  W  W18  1  0.333240  0.500288  0.498779  1
  W  W19  1  0.416517  0.625045  0.498815  1
  W  W20  1  0.499752  0.749841  0.498699  1
  W  W21  1  0.583309  0.874782  0.499019  1
  W  W22  1  0.166384  -0.000572  0.501470  1
  W  W23  1  0.249863  0.124848  0.499304  1
  W  W24  1  0.333305  0.250008  0.498482  1
  W  W25  1  0.416661  0.375086  0.498113  1
  W  W26  1  0.499980  0.500045  0.497931  1
  W  W27  1  0.583340  0.624969  0.498060  1
  W  W28  1  0.666841  0.749842  0.498829  1
  W  W29  1  0.750145  0.874730  0.500389  1
  W  W30  1  0.333056  -0.000176  0.500318  1
  W  W31  1  0.416580  0.124871  0.498866  1
  W  W32  1  0.499993  0.249960  0.498219  1
  W  W33  1  0.583375  0.375017  0.497863  1
  W  W34  1  0.666738  0.500045  0.497940  1
  W  W35  1  0.750182  0.625040  0.498928  1
  W  W36  1  0.834133  0.750080  0.501161  1
  W  W37  1  0.917365  0.874622  0.504417  1
  W  W38  1  0.499882  -0.000233  0.499206  1
  W  W39  1  0.583355  0.124873  0.498608  1
  W  W40  1  0.666753  0.249968  0.498155  1
  W  W41  1  0.750101  0.375078  0.498025  1
  W  W42  1  0.833480  0.500248  0.498787  1
  W  W43  1  0.917163  0.625526  0.501201  1
  W  W44  1  0.666767  -0.000209  0.499320  1
  W  W45  1  0.750126  0.124902  0.498869  1
  W  W46  1  0.833477  0.250020  0.498369  1
  W  W47  1  0.916770  0.375175  0.498665  1
  W  W48  1  0.833588  -0.000123  0.500545  1
  W  W49  1  0.916877  0.124859  0.499278  1
  S  S50  1  0.164945  0.913573  0.393825  1
  S  S51  1  0.083418  0.543225  0.391054  1
  S  S52  1  0.164374  0.669621  0.393126  1
  S  S53  1  0.245884  0.791930  0.393091  1
  S  S54  1  0.331830  0.915862  0.391022  1
  S  S55  1  0.083423  0.291914  0.388229  1
  S  S56  1  0.166569  0.417326  0.388628  1
  S  S57  1  0.249342  0.542700  0.389231  1
  S  S58  1  0.332342  0.667125  0.389404  1
  S  S59  1  0.415395  0.791578  0.389121  1
  S  S60  1  0.499520  0.916331  0.388657  1
  S  S61  1  0.083306  0.040783  0.390058  1
  S  S62  1  0.166567  0.166428  0.388498  1
  S  S63  1  0.249880  0.291763  0.387912  1
  S  S64  1  0.333099  0.416998  0.387760  1
  S  S65  1  0.416295  0.541915  0.387655  1
  S  S66  1  0.499636  0.666725  0.387657  1
  S  S67  1  0.583339  0.791557  0.388076  1
  S  S68  1  0.667191  0.916336  0.388821  1
  S  S69  1  0.249336  0.040768  0.389667  1
  S  S70  1  0.333078  0.166351  0.388148  1
  S  S71  1  0.416559  0.291595  0.387512  1
  S  S72  1  0.499925  0.416674  0.387152  1
  S  S73  1  0.583360  0.541720  0.387121  1
  S  S74  1  0.667085  0.666745  0.387752  1
  S  S75  1  0.751227  0.791643  0.389394  1
  S  S76  1  0.834708  0.915940  0.391336  1
  S  S77  1  0.416154  0.041172  0.388747  1
  S  S78  1  0.499887  0.166375  0.387821  1
  S  S79  1  0.583351  0.291509  0.387335  1
  S  S80  1  0.666810  0.416693  0.387123  1
  S  S81  1  0.750424  0.541940  0.387710  1
  S  S82  1  0.834394  0.667202  0.389636  1
  S  S83  1  0.920797  0.792313  0.393666  1
  S  S84  1  0.001400  0.913330  0.393752  1
  S  S85  1  0.583364  0.041253  0.388351  1
  S  S86  1  0.666827  0.166369  0.387793  1
  S  S87  1  0.750195  0.291591  0.387409  1
  S  S88  1  0.833684  0.417002  0.387705  1
  S  S89  1  0.917404  0.542676  0.389338  1
  S  S90  1  0.002363  0.669560  0.393723  1
  S  S91  1  0.750529  0.041159  0.388870  1
  S  S92  1  0.833657  0.166331  0.388098  1
  S  S93  1  0.916939  0.291775  0.387829  1
  S  S94  1  0.000277  0.417344  0.388624  1
  S  S95  1  0.917293  0.040741  0.389722  1
  S  S96  1  0.000203  0.166413  0.388471  1
  S  S97  1  0.083431  0.791600  0.620782  1
  S  S98  1  0.167112  0.917549  0.615481  1
  S  S99  1  0.083458  0.540943  0.611894  1
  S  S100  1  0.167477  0.666230  0.615393  1
  S  S101  1  0.250868  0.791252  0.615335  1
  S  S102  1  0.334179  0.916856  0.611831  1
  S  S103  1  0.083383  0.291743  0.609639  1
  S  S104  1  0.166949  0.416488  0.610089  1
  S  S105  1  0.250504  0.541632  0.610608  1
  S  S106  1  0.333802  0.666439  0.610687  1
  S  S107  1  0.416991  0.791258  0.610438  1
  S  S108  1  0.500254  0.916501  0.610076  1
  S  S109  1  0.083345  0.042091  0.611295  1
  S  S110  1  0.166751  0.166913  0.609940  1
  S  S111  1  0.250173  0.291749  0.609376  1
  S  S112  1  0.333569  0.416719  0.609200  1
  S  S113  1  0.416950  0.541569  0.609212  1
  S  S114  1  0.500178  0.666447  0.609183  1
  S  S115  1  0.583249  0.791334  0.609409  1
  S  S116  1  0.666257  0.916537  0.610238  1
  S  S117  1  0.250073  0.042038  0.610935  1
  S  S118  1  0.333414  0.166830  0.609538  1
  S  S119  1  0.416764  0.291770  0.608970  1
  S  S120  1  0.500120  0.416696  0.608678  1
  S  S121  1  0.583350  0.541581  0.608651  1
  S  S122  1  0.666449  0.666409  0.609256  1
  S  S123  1  0.749522  0.791225  0.610667  1
  S  S124  1  0.832323  0.917042  0.612348  1
  S  S125  1  0.416892  0.041821  0.610135  1
  S  S126  1  0.500069  0.166753  0.609238  1
  S  S127  1  0.583391  0.291745  0.608786  1
  S  S128  1  0.666658  0.416678  0.608642  1
  S  S129  1  0.749752  0.541518  0.609250  1
  S  S130  1  0.832849  0.666380  0.610886  1
  S  S131  1  0.915517  0.791304  0.615676  1
  S  S132  1  -0.000255  0.917625  0.615762  1
  S  S133  1  0.583293  0.041689  0.609665  1
  S  S134  1  0.666645  0.166792  0.609218  1
  S  S135  1  0.750018  0.291769  0.608857  1
  S  S136  1  0.833182  0.416669  0.609147  1
  S  S137  1  0.916219  0.541469  0.610670  1
  S  S138  1  -0.000692  0.665867  0.615425  1
  S  S139  1  0.749738  0.041915  0.610257  1
  S  S140  1  0.833335  0.166877  0.609471  1
  S  S141  1  0.916608  0.291758  0.609289  1
  S  S142  1  -0.000140  0.416473  0.610067  1
  S  S143  1  0.916710  0.042087  0.610977  1
  S  S144  1  0.000006  0.166927  0.609900  1
