# generated using pymatgen
data_W48S95N
_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   W48S95N
_chemical_formula_sum   'W48 S95 N1'
_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  0.003788  0.751875  0.505770  1
  W  W2  1  0.083333  0.871172  0.505800  1
  W  W3  1  0.000140  0.500061  0.499900  1
  W  W4  1  0.083333  0.625083  0.502297  1
  W  W5  1  0.162879  0.751874  0.505770  1
  W  W6  1  0.249903  0.874927  0.502157  1
  W  W7  1  0.000020  0.249839  0.498945  1
  W  W8  1  0.083333  0.374915  0.499202  1
  W  W9  1  0.166527  0.500061  0.499900  1
  W  W10  1  0.249560  0.625300  0.500751  1
  W  W11  1  0.332819  0.750182  0.500560  1
  W  W12  1  0.416523  0.875048  0.499500  1
  W  W13  1  0.000076  -0.000507  0.500982  1
  W  W14  1  0.083333  0.124644  0.499590  1
  W  W15  1  0.166647  0.249839  0.498945  1
  W  W16  1  0.249950  0.374991  0.498757  1
  W  W17  1  0.333133  0.500174  0.498824  1
  W  W18  1  0.416399  0.625190  0.498883  1
  W  W19  1  0.499831  0.750108  0.498584  1
  W  W20  1  0.583333  0.875017  0.498624  1
  W  W21  1  0.166591  -0.000507  0.500983  1
  W  W22  1  0.249938  0.124744  0.499193  1
  W  W23  1  0.333282  0.249943  0.498429  1
  W  W24  1  0.416604  0.375098  0.498118  1
  W  W25  1  0.499928  0.500161  0.498112  1
  W  W26  1  0.583333  0.625161  0.498205  1
  W  W27  1  0.666836  0.750108  0.498584  1
  W  W28  1  0.750143  0.875048  0.499500  1
  W  W29  1  0.333314  -0.000168  0.499757  1
  W  W30  1  0.416634  0.124971  0.498626  1
  W  W31  1  0.499984  0.250055  0.498060  1
  W  W32  1  0.583333  0.375115  0.497897  1
  W  W33  1  0.666739  0.500161  0.498112  1
  W  W34  1  0.750268  0.625190  0.498883  1
  W  W35  1  0.833848  0.750182  0.500560  1
  W  W36  1  0.916764  0.874927  0.502157  1
  W  W37  1  0.499996  0.000002  0.498827  1
  W  W38  1  0.583333  0.125016  0.498364  1
  W  W39  1  0.666682  0.250055  0.498060  1
  W  W40  1  0.750063  0.375098  0.498118  1
  W  W41  1  0.833534  0.500174  0.498824  1
  W  W42  1  0.917106  0.625300  0.500751  1
  W  W43  1  0.666671  0.000002  0.498827  1
  W  W44  1  0.750033  0.124971  0.498626  1
  W  W45  1  0.833384  0.249943  0.498429  1
  W  W46  1  0.916717  0.374991  0.498757  1
  W  W47  1  0.833352  -0.000169  0.499756  1
  W  W48  1  0.916729  0.124744  0.499193  1
  S  S49  1  0.165016  0.914371  0.392505  1
  S  S50  1  0.083333  0.542487  0.389906  1
  S  S51  1  0.165115  0.669021  0.392459  1
  S  S52  1  0.246802  0.791621  0.392337  1
  S  S53  1  0.332409  0.916262  0.389645  1
  S  S54  1  0.083333  0.291593  0.388313  1
  S  S55  1  0.166451  0.416937  0.388552  1
  S  S56  1  0.249287  0.542359  0.389058  1
  S  S57  1  0.332231  0.667163  0.389362  1
  S  S58  1  0.415633  0.791785  0.388739  1
  S  S59  1  0.499682  0.916610  0.388198  1
  S  S60  1  0.083333  0.040649  0.389823  1
  S  S61  1  0.166507  0.166237  0.388517  1
  S  S62  1  0.249770  0.291614  0.387962  1
  S  S63  1  0.332992  0.416920  0.387828  1
  S  S64  1  0.416223  0.541983  0.387855  1
  S  S65  1  0.499612  0.666840  0.387784  1
  S  S66  1  0.583333  0.791721  0.387801  1
  S  S67  1  0.666985  0.916610  0.388198  1
  S  S68  1  0.249525  0.040858  0.389215  1
  S  S69  1  0.333047  0.166370  0.388011  1
  S  S70  1  0.416480  0.291668  0.387448  1
  S  S71  1  0.499873  0.416846  0.387288  1
  S  S72  1  0.583333  0.541877  0.387410  1
  S  S73  1  0.667054  0.666840  0.387785  1
  S  S74  1  0.751034  0.791785  0.388740  1
  S  S75  1  0.834258  0.916262  0.389645  1
  S  S76  1  0.416342  0.041405  0.388327  1
  S  S77  1  0.499888  0.166540  0.387602  1
  S  S78  1  0.583333  0.291699  0.387241  1
  S  S79  1  0.666794  0.416846  0.387288  1
  S  S80  1  0.750444  0.541983  0.387855  1
  S  S81  1  0.834436  0.667163  0.389362  1
  S  S82  1  0.919865  0.791621  0.392337  1
  S  S83  1  0.001650  0.914371  0.392505  1
  S  S84  1  0.583333  0.041521  0.387935  1
  S  S85  1  0.666778  0.166540  0.387602  1
  S  S86  1  0.750187  0.291668  0.387448  1
  S  S87  1  0.833675  0.416920  0.387828  1
  S  S88  1  0.917379  0.542359  0.389058  1
  S  S89  1  0.001552  0.669021  0.392460  1
  S  S90  1  0.750324  0.041405  0.388326  1
  S  S91  1  0.833619  0.166370  0.388010  1
  S  S92  1  0.916897  0.291614  0.387963  1
  S  S93  1  0.000215  0.416938  0.388552  1
  S  S94  1  0.917142  0.040858  0.389214  1
  S  S95  1  0.000160  0.166237  0.388516  1
  S  S96  1  0.083333  0.791616  0.626353  1
  S  S97  1  0.166891  0.916954  0.613048  1
  S  S98  1  0.083333  0.540943  0.611573  1
  S  S99  1  0.166987  0.666326  0.613012  1
  S  S100  1  0.250548  0.791587  0.612891  1
  S  S101  1  0.334119  0.916940  0.611321  1
  S  S102  1  0.083333  0.291461  0.609748  1
  S  S103  1  0.166791  0.416333  0.610002  1
  S  S104  1  0.250169  0.541409  0.610416  1
  S  S105  1  0.333630  0.666592  0.610523  1
  S  S106  1  0.417053  0.791716  0.610085  1
  S  S107  1  0.500286  0.916735  0.609658  1
  S  S108  1  0.083333  0.041750  0.611030  1
  S  S109  1  0.166755  0.166631  0.609934  1
  S  S110  1  0.250136  0.291590  0.609386  1
  S  S111  1  0.333470  0.416635  0.609219  1
  S  S112  1  0.416796  0.541662  0.609261  1
  S  S113  1  0.500117  0.666729  0.609175  1
  S  S114  1  0.583333  0.791643  0.609158  1
  S  S115  1  0.666380  0.916735  0.609658  1
  S  S116  1  0.250311  0.041789  0.610577  1
  S  S117  1  0.333448  0.166736  0.609413  1
  S  S118  1  0.416740  0.291747  0.608859  1
  S  S119  1  0.500047  0.416741  0.608706  1
  S  S120  1  0.583333  0.541757  0.608807  1
  S  S121  1  0.666550  0.666729  0.609175  1
  S  S122  1  0.749614  0.791716  0.610085  1
  S  S123  1  0.832547  0.916940  0.611321  1
  S  S124  1  0.416958  0.041867  0.609785  1
  S  S125  1  0.500071  0.166833  0.609033  1
  S  S126  1  0.583333  0.291798  0.608682  1
  S  S127  1  0.666620  0.416741  0.608706  1
  S  S128  1  0.749871  0.541662  0.609261  1
  S  S129  1  0.833037  0.666592  0.610523  1
  S  S130  1  0.916119  0.791587  0.612891  1
  S  S131  1  -0.000224  0.916955  0.613048  1
  S  S132  1  0.583333  0.041832  0.609385  1
  S  S133  1  0.666596  0.166833  0.609032  1
  S  S134  1  0.749927  0.291747  0.608859  1
  S  S135  1  0.833197  0.416635  0.609219  1
  S  S136  1  0.916499  0.541410  0.610416  1
  S  S137  1  -0.000320  0.666326  0.613012  1
  S  S138  1  0.749708  0.041867  0.609784  1
  S  S139  1  0.833220  0.166736  0.609413  1
  S  S140  1  0.916531  0.291590  0.609386  1
  S  S141  1  -0.000124  0.416333  0.610002  1
  S  S142  1  0.916355  0.041789  0.610577  1
  S  S143  1  -0.000089  0.166630  0.609933  1
  N  N144  1  0.083333  0.791651  0.435395  1
