# generated using pymatgen
data_FeW48S95
_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   FeW48S95
_chemical_formula_sum   'Fe1 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
  Fe  Fe1  1  0.083334  0.791717  0.377110  1
  W  W2  1  0.001544  0.750788  0.507646  1
  W  W3  1  0.083333  0.873455  0.507613  1
  W  W4  1  0.000062  0.500508  0.500191  1
  W  W5  1  0.083333  0.626098  0.503551  1
  W  W6  1  0.165122  0.750788  0.507645  1
  W  W7  1  0.248958  0.874468  0.503399  1
  W  W8  1  0.000107  0.249962  0.498975  1
  W  W9  1  0.083334  0.375288  0.499292  1
  W  W10  1  0.166603  0.500508  0.500192  1
  W  W11  1  0.249365  0.625756  0.500763  1
  W  W12  1  0.332359  0.750132  0.500533  1
  W  W13  1  0.416316  0.874695  0.499898  1
  W  W14  1  0.000392  -0.000828  0.500930  1
  W  W15  1  0.083333  0.124572  0.499391  1
  W  W16  1  0.166559  0.249962  0.498975  1
  W  W17  1  0.249845  0.375215  0.499040  1
  W  W18  1  0.333068  0.500502  0.499026  1
  W  W19  1  0.416267  0.625281  0.498906  1
  W  W20  1  0.499709  0.749956  0.498648  1
  W  W21  1  0.583333  0.874750  0.498948  1
  W  W22  1  0.166275  -0.000828  0.500930  1
  W  W23  1  0.249622  0.124618  0.499293  1
  W  W24  1  0.333113  0.249902  0.498950  1
  W  W25  1  0.416462  0.375198  0.498763  1
  W  W26  1  0.499914  0.500257  0.498549  1
  W  W27  1  0.583333  0.625198  0.498391  1
  W  W28  1  0.666957  0.749956  0.498647  1
  W  W29  1  0.750351  0.874694  0.499898  1
  W  W30  1  0.332898  -0.000345  0.500218  1
  W  W31  1  0.416441  0.124763  0.499263  1
  W  W32  1  0.499876  0.249926  0.498928  1
  W  W33  1  0.583334  0.375177  0.498680  1
  W  W34  1  0.666753  0.500258  0.498550  1
  W  W35  1  0.750399  0.625282  0.498906  1
  W  W36  1  0.834308  0.750132  0.500534  1
  W  W37  1  0.917709  0.874468  0.503399  1
  W  W38  1  0.499790  -0.000315  0.499399  1
  W  W39  1  0.583333  0.124745  0.499168  1
  W  W40  1  0.666791  0.249926  0.498929  1
  W  W41  1  0.750205  0.375198  0.498765  1
  W  W42  1  0.833599  0.500501  0.499026  1
  W  W43  1  0.917302  0.625756  0.500764  1
  W  W44  1  0.666877  -0.000315  0.499399  1
  W  W45  1  0.750226  0.124763  0.499264  1
  W  W46  1  0.833554  0.249902  0.498950  1
  W  W47  1  0.916822  0.375214  0.499039  1
  W  W48  1  0.833768  -0.000346  0.500218  1
  W  W49  1  0.917045  0.124618  0.499292  1
  S  S50  1  0.165049  0.913438  0.392447  1
  S  S51  1  0.083333  0.543263  0.390748  1
  S  S52  1  0.164154  0.669529  0.392483  1
  S  S53  1  0.245836  0.792129  0.392346  1
  S  S54  1  0.331810  0.915879  0.390634  1
  S  S55  1  0.083334  0.291877  0.388407  1
  S  S56  1  0.166477  0.417418  0.388810  1
  S  S57  1  0.249213  0.542789  0.389229  1
  S  S58  1  0.332199  0.667209  0.389168  1
  S  S59  1  0.415341  0.791632  0.388895  1
  S  S60  1  0.499472  0.916332  0.388675  1
  S  S61  1  0.083333  0.040615  0.389529  1
  S  S62  1  0.166473  0.166282  0.388507  1
  S  S63  1  0.249788  0.291749  0.388346  1
  S  S64  1  0.332984  0.417096  0.388321  1
  S  S65  1  0.416222  0.542047  0.388101  1
  S  S66  1  0.499588  0.666804  0.387866  1
  S  S67  1  0.583333  0.791598  0.388004  1
  S  S68  1  0.667194  0.916332  0.388675  1
  S  S69  1  0.249265  0.040599  0.389390  1
  S  S70  1  0.332979  0.166255  0.388574  1
  S  S71  1  0.416457  0.291632  0.388350  1
  S  S72  1  0.499852  0.416819  0.388093  1
  S  S73  1  0.583333  0.541874  0.387814  1
  S  S74  1  0.667079  0.666804  0.387867  1
  S  S75  1  0.751326  0.791631  0.388896  1
  S  S76  1  0.834856  0.915879  0.390634  1
  S  S77  1  0.416072  0.041120  0.388970  1
  S  S78  1  0.499832  0.166355  0.388569  1
  S  S79  1  0.583333  0.291592  0.388376  1
  S  S80  1  0.666815  0.416820  0.388093  1
  S  S81  1  0.750445  0.542048  0.388101  1
  S  S82  1  0.834468  0.667209  0.389169  1
  S  S83  1  0.920831  0.792130  0.392347  1
  S  S84  1  0.001618  0.913438  0.392447  1
  S  S85  1  0.583333  0.041247  0.388700  1
  S  S86  1  0.666835  0.166355  0.388569  1
  S  S87  1  0.750210  0.291632  0.388350  1
  S  S88  1  0.833683  0.417096  0.388321  1
  S  S89  1  0.917452  0.542788  0.389228  1
  S  S90  1  0.002512  0.669529  0.392483  1
  S  S91  1  0.750595  0.041120  0.388970  1
  S  S92  1  0.833688  0.166256  0.388574  1
  S  S93  1  0.916879  0.291749  0.388346  1
  S  S94  1  0.000191  0.417417  0.388810  1
  S  S95  1  0.917401  0.040599  0.389390  1
  S  S96  1  0.000194  0.166282  0.388506  1
  S  S97  1  0.083333  0.791665  0.620089  1
  S  S98  1  0.166969  0.917189  0.615246  1
  S  S99  1  0.083333  0.541275  0.611796  1
  S  S100  1  0.167126  0.666171  0.615297  1
  S  S101  1  0.250828  0.791565  0.615111  1
  S  S102  1  0.333884  0.916729  0.611617  1
  S  S103  1  0.083333  0.291702  0.609685  1
  S  S104  1  0.166727  0.416706  0.610165  1
  S  S105  1  0.250243  0.541962  0.610674  1
  S  S106  1  0.333442  0.666731  0.610712  1
  S  S107  1  0.416736  0.791259  0.610310  1
  S  S108  1  0.500152  0.916320  0.610027  1
  S  S109  1  0.083333  0.041635  0.611064  1
  S  S110  1  0.166519  0.166611  0.609882  1
  S  S111  1  0.249851  0.291721  0.609560  1
  S  S112  1  0.333256  0.416956  0.609491  1
  S  S113  1  0.416655  0.541937  0.609467  1
  S  S114  1  0.499990  0.666698  0.609286  1
  S  S115  1  0.583333  0.791370  0.609323  1
  S  S116  1  0.666514  0.916320  0.610027  1
  S  S117  1  0.249661  0.041648  0.610797  1
  S  S118  1  0.333045  0.166549  0.609743  1
  S  S119  1  0.416497  0.291774  0.609390  1
  S  S120  1  0.499928  0.416925  0.609217  1
  S  S121  1  0.583333  0.541931  0.609116  1
  S  S122  1  0.666676  0.666698  0.609286  1
  S  S123  1  0.749931  0.791259  0.610310  1
  S  S124  1  0.832782  0.916728  0.611616  1
  S  S125  1  0.416628  0.041538  0.610256  1
  S  S126  1  0.499913  0.166570  0.609658  1
  S  S127  1  0.583333  0.291766  0.609325  1
  S  S128  1  0.666739  0.416926  0.609218  1
  S  S129  1  0.750012  0.541937  0.609467  1
  S  S130  1  0.833225  0.666731  0.610712  1
  S  S131  1  0.915839  0.791565  0.615111  1
  S  S132  1  -0.000302  0.917190  0.615246  1
  S  S133  1  0.583333  0.041399  0.609880  1
  S  S134  1  0.666753  0.166570  0.609658  1
  S  S135  1  0.750170  0.291774  0.609390  1
  S  S136  1  0.833412  0.416955  0.609492  1
  S  S137  1  0.916424  0.541962  0.610674  1
  S  S138  1  -0.000460  0.666171  0.615297  1
  S  S139  1  0.750039  0.041538  0.610256  1
  S  S140  1  0.833621  0.166548  0.609744  1
  S  S141  1  0.916816  0.291721  0.609559  1
  S  S142  1  -0.000060  0.416706  0.610164  1
  S  S143  1  0.917005  0.041649  0.610797  1
  S  S144  1  0.000148  0.166611  0.609882  1
