# 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  0.003609  0.751773  0.505183  1
  W  W2  1  0.083333  0.871361  0.505295  1
  W  W3  1  0.000180  0.499894  0.499661  1
  W  W4  1  0.083334  0.624669  0.501667  1
  W  W5  1  0.163057  0.751773  0.505184  1
  W  W6  1  0.250330  0.875123  0.501608  1
  W  W7  1  0.000046  0.249734  0.498933  1
  W  W8  1  0.083333  0.374837  0.499144  1
  W  W9  1  0.166487  0.499894  0.499663  1
  W  W10  1  0.249418  0.625053  0.500460  1
  W  W11  1  0.333015  0.750453  0.500277  1
  W  W12  1  0.416687  0.875104  0.499396  1
  W  W13  1  -0.000288  -0.000518  0.500731  1
  W  W14  1  0.083333  0.124487  0.499442  1
  W  W15  1  0.166621  0.249734  0.498933  1
  W  W16  1  0.249929  0.374971  0.498849  1
  W  W17  1  0.333149  0.500264  0.498836  1
  W  W18  1  0.416302  0.625321  0.498792  1
  W  W19  1  0.499924  0.750091  0.498478  1
  W  W20  1  0.583333  0.874947  0.498665  1
  W  W21  1  0.166954  -0.000518  0.500730  1
  W  W22  1  0.249901  0.124712  0.499173  1
  W  W23  1  0.333211  0.249932  0.498687  1
  W  W24  1  0.416582  0.375208  0.498467  1
  W  W25  1  0.499895  0.500365  0.498344  1
  W  W26  1  0.583333  0.625331  0.498234  1
  W  W27  1  0.666743  0.750091  0.498478  1
  W  W28  1  0.749979  0.875104  0.499397  1
  W  W29  1  0.333512  -0.000173  0.499679  1
  W  W30  1  0.416653  0.124916  0.498929  1
  W  W31  1  0.499935  0.250072  0.498576  1
  W  W32  1  0.583333  0.375315  0.498368  1
  W  W33  1  0.666772  0.500365  0.498344  1
  W  W34  1  0.750365  0.625321  0.498792  1
  W  W35  1  0.833652  0.750453  0.500277  1
  W  W36  1  0.916337  0.875122  0.501609  1
  W  W37  1  0.500025  -0.000081  0.499050  1
  W  W38  1  0.583333  0.124927  0.498818  1
  W  W39  1  0.666732  0.250073  0.498577  1
  W  W40  1  0.750085  0.375208  0.498466  1
  W  W41  1  0.833518  0.500263  0.498833  1
  W  W42  1  0.917249  0.625053  0.500459  1
  W  W43  1  0.666641  -0.000081  0.499050  1
  W  W44  1  0.750013  0.124916  0.498930  1
  W  W45  1  0.833455  0.249932  0.498687  1
  W  W46  1  0.916738  0.374971  0.498848  1
  W  W47  1  0.833154  -0.000173  0.499681  1
  W  W48  1  0.916766  0.124712  0.499172  1
  S  S49  1  0.165479  0.914606  0.392328  1
  S  S50  1  0.083334  0.541976  0.389289  1
  S  S51  1  0.165165  0.668521  0.392217  1
  S  S52  1  0.247311  0.791831  0.392152  1
  S  S53  1  0.332955  0.916477  0.389140  1
  S  S54  1  0.083333  0.291485  0.388251  1
  S  S55  1  0.166480  0.416743  0.388407  1
  S  S56  1  0.249292  0.542075  0.388765  1
  S  S57  1  0.332177  0.667222  0.389112  1
  S  S58  1  0.415972  0.791937  0.388460  1
  S  S59  1  0.499853  0.916638  0.388087  1
  S  S60  1  0.083333  0.040514  0.389597  1
  S  S61  1  0.166517  0.166135  0.388371  1
  S  S62  1  0.249780  0.291557  0.388100  1
  S  S63  1  0.333012  0.416933  0.387991  1
  S  S64  1  0.416219  0.542062  0.387818  1
  S  S65  1  0.499611  0.666888  0.387576  1
  S  S66  1  0.583333  0.791738  0.387541  1
  S  S67  1  0.666814  0.916638  0.388088  1
  S  S68  1  0.249889  0.040929  0.388964  1
  S  S69  1  0.333133  0.166350  0.388207  1
  S  S70  1  0.416490  0.291710  0.387995  1
  S  S71  1  0.499864  0.416979  0.387730  1
  S  S72  1  0.583333  0.542006  0.387517  1
  S  S73  1  0.667055  0.666888  0.387575  1
  S  S74  1  0.750695  0.791937  0.388460  1
  S  S75  1  0.833711  0.916476  0.389142  1
  S  S76  1  0.416572  0.041434  0.388356  1
  S  S77  1  0.499937  0.166543  0.388133  1
  S  S78  1  0.583333  0.291779  0.388001  1
  S  S79  1  0.666803  0.416979  0.387730  1
  S  S80  1  0.750447  0.542062  0.387817  1
  S  S81  1  0.834490  0.667222  0.389111  1
  S  S82  1  0.919356  0.791831  0.392151  1
  S  S83  1  0.001188  0.914606  0.392329  1
  S  S84  1  0.583333  0.041497  0.388180  1
  S  S85  1  0.666729  0.166543  0.388134  1
  S  S86  1  0.750177  0.291710  0.387995  1
  S  S87  1  0.833656  0.416931  0.387988  1
  S  S88  1  0.917375  0.542075  0.388763  1
  S  S89  1  0.001502  0.668520  0.392216  1
  S  S90  1  0.750094  0.041434  0.388356  1
  S  S91  1  0.833533  0.166350  0.388207  1
  S  S92  1  0.916887  0.291557  0.388100  1
  S  S93  1  0.000187  0.416742  0.388406  1
  S  S94  1  0.916778  0.040929  0.388965  1
  S  S95  1  0.000150  0.166135  0.388371  1
  S  S96  1  0.083334  0.791614  0.626759  1
  S  S97  1  0.167192  0.916959  0.612439  1
  S  S98  1  0.083333  0.540728  0.611397  1
  S  S99  1  0.166864  0.666106  0.612327  1
  S  S100  1  0.250708  0.791754  0.612222  1
  S  S101  1  0.334342  0.916986  0.611311  1
  S  S102  1  0.083333  0.291383  0.609745  1
  S  S103  1  0.166717  0.416296  0.610014  1
  S  S104  1  0.250007  0.541293  0.610317  1
  S  S105  1  0.333375  0.666732  0.610303  1
  S  S106  1  0.417211  0.791790  0.610003  1
  S  S107  1  0.500355  0.916612  0.609898  1
  S  S108  1  0.083333  0.041473  0.610780  1
  S  S109  1  0.166687  0.166460  0.609941  1
  S  S110  1  0.249975  0.291549  0.609499  1
  S  S111  1  0.333331  0.416788  0.609363  1
  S  S112  1  0.416639  0.541918  0.609415  1
  S  S113  1  0.500031  0.666831  0.609276  1
  S  S114  1  0.583333  0.791583  0.609305  1
  S  S115  1  0.666311  0.916612  0.609899  1
  S  S116  1  0.250487  0.041738  0.610537  1
  S  S117  1  0.333329  0.166646  0.609594  1
  S  S118  1  0.416598  0.291818  0.609133  1
  S  S119  1  0.499955  0.417020  0.609007  1
  S  S120  1  0.583333  0.542030  0.609014  1
  S  S121  1  0.666636  0.666831  0.609276  1
  S  S122  1  0.749456  0.791790  0.610003  1
  S  S123  1  0.832324  0.916986  0.611312  1
  S  S124  1  0.416983  0.041748  0.610054  1
  S  S125  1  0.500019  0.166747  0.609407  1
  S  S126  1  0.583333  0.291913  0.609017  1
  S  S127  1  0.666712  0.417020  0.609007  1
  S  S128  1  0.750028  0.541917  0.609414  1
  S  S129  1  0.833292  0.666731  0.610302  1
  S  S130  1  0.915959  0.791753  0.612223  1
  S  S131  1  -0.000525  0.916959  0.612441  1
  S  S132  1  0.583333  0.041643  0.609763  1
  S  S133  1  0.666647  0.166747  0.609407  1
  S  S134  1  0.750069  0.291818  0.609133  1
  S  S135  1  0.833336  0.416788  0.609362  1
  S  S136  1  0.916659  0.541293  0.610315  1
  S  S137  1  -0.000197  0.666106  0.612326  1
  S  S138  1  0.749683  0.041748  0.610054  1
  S  S139  1  0.833338  0.166645  0.609593  1
  S  S140  1  0.916692  0.291549  0.609500  1
  S  S141  1  -0.000051  0.416296  0.610014  1
  S  S142  1  0.916179  0.041739  0.610538  1
  S  S143  1  -0.000021  0.166460  0.609941  1
  N  N144  1  0.083333  0.791654  0.438062  1
