# 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  0.003629  0.751771  0.505577  1
  W  W2  1  0.083333  0.871348  0.505649  1
  W  W3  1  0.000169  0.499789  0.499727  1
  W  W4  1  0.083333  0.624614  0.501965  1
  W  W5  1  0.163038  0.751771  0.505578  1
  W  W6  1  0.250348  0.875130  0.501943  1
  W  W7  1  0.000019  0.249749  0.498847  1
  W  W8  1  0.083333  0.374759  0.499110  1
  W  W9  1  0.166497  0.499789  0.499727  1
  W  W10  1  0.249431  0.624998  0.500628  1
  W  W11  1  0.333038  0.750420  0.500486  1
  W  W12  1  0.416730  0.875156  0.499446  1
  W  W13  1  -0.000290  -0.000469  0.500901  1
  W  W14  1  0.083333  0.124540  0.499507  1
  W  W15  1  0.166648  0.249749  0.498847  1
  W  W16  1  0.249954  0.374908  0.498725  1
  W  W17  1  0.333212  0.500145  0.498766  1
  W  W18  1  0.416336  0.625256  0.498750  1
  W  W19  1  0.499955  0.750083  0.498425  1
  W  W20  1  0.583333  0.875020  0.498571  1
  W  W21  1  0.166957  -0.000469  0.500901  1
  W  W22  1  0.249959  0.124802  0.499204  1
  W  W23  1  0.333273  0.249957  0.498503  1
  W  W24  1  0.416624  0.375162  0.498264  1
  W  W25  1  0.499907  0.500284  0.498112  1
  W  W26  1  0.583333  0.625268  0.498023  1
  W  W27  1  0.666712  0.750083  0.498425  1
  W  W28  1  0.749937  0.875156  0.499446  1
  W  W29  1  0.333577  -0.000091  0.499767  1
  W  W30  1  0.416697  0.125008  0.498830  1
  W  W31  1  0.499969  0.250116  0.498403  1
  W  W32  1  0.583333  0.375271  0.498160  1
  W  W33  1  0.666760  0.500284  0.498111  1
  W  W34  1  0.750330  0.625256  0.498749  1
  W  W35  1  0.833628  0.750420  0.500485  1
  W  W36  1  0.916319  0.875130  0.501942  1
  W  W37  1  0.500069  0.000024  0.498923  1
  W  W38  1  0.583333  0.125033  0.498600  1
  W  W39  1  0.666698  0.250116  0.498403  1
  W  W40  1  0.750043  0.375162  0.498263  1
  W  W41  1  0.833455  0.500145  0.498766  1
  W  W42  1  0.917235  0.624998  0.500627  1
  W  W43  1  0.666598  0.000024  0.498923  1
  W  W44  1  0.749970  0.125008  0.498830  1
  W  W45  1  0.833394  0.249957  0.498503  1
  W  W46  1  0.916713  0.374908  0.498724  1
  W  W47  1  0.833090  -0.000091  0.499766  1
  W  W48  1  0.916707  0.124802  0.499205  1
  S  S49  1  0.165459  0.914590  0.392691  1
  S  S50  1  0.083333  0.541957  0.389492  1
  S  S51  1  0.165144  0.668559  0.392575  1
  S  S52  1  0.247263  0.791811  0.392548  1
  S  S53  1  0.332905  0.916501  0.389373  1
  S  S54  1  0.083333  0.291466  0.388140  1
  S  S55  1  0.166463  0.416689  0.388341  1
  S  S56  1  0.249291  0.542034  0.388892  1
  S  S57  1  0.332180  0.667201  0.389290  1
  S  S58  1  0.415927  0.791939  0.388599  1
  S  S59  1  0.499826  0.916710  0.388031  1
  S  S60  1  0.083333  0.040559  0.389759  1
  S  S61  1  0.166531  0.166146  0.388362  1
  S  S62  1  0.249788  0.291541  0.387870  1
  S  S63  1  0.333037  0.416869  0.387780  1
  S  S64  1  0.416213  0.542015  0.387678  1
  S  S65  1  0.499589  0.666870  0.387473  1
  S  S66  1  0.583333  0.791770  0.387472  1
  S  S67  1  0.666841  0.916710  0.388031  1
  S  S68  1  0.249894  0.040990  0.389126  1
  S  S69  1  0.333153  0.166376  0.388051  1
  S  S70  1  0.416552  0.291699  0.387670  1
  S  S71  1  0.499902  0.416911  0.387425  1
  S  S72  1  0.583333  0.541943  0.387268  1
  S  S73  1  0.667077  0.666870  0.387473  1
  S  S74  1  0.750740  0.791939  0.388599  1
  S  S75  1  0.833762  0.916501  0.389373  1
  S  S76  1  0.416563  0.041514  0.388299  1
  S  S77  1  0.499927  0.166628  0.387878  1
  S  S78  1  0.583334  0.291783  0.387688  1
  S  S79  1  0.666765  0.416911  0.387425  1
  S  S80  1  0.750453  0.542015  0.387678  1
  S  S81  1  0.834487  0.667201  0.389290  1
  S  S82  1  0.919404  0.791811  0.392548  1
  S  S83  1  0.001207  0.914590  0.392691  1
  S  S84  1  0.583333  0.041595  0.387963  1
  S  S85  1  0.666740  0.166628  0.387878  1
  S  S86  1  0.750115  0.291699  0.387670  1
  S  S87  1  0.833630  0.416869  0.387779  1
  S  S88  1  0.917376  0.542034  0.388892  1
  S  S89  1  0.001523  0.668559  0.392575  1
  S  S90  1  0.750104  0.041514  0.388299  1
  S  S91  1  0.833513  0.166376  0.388051  1
  S  S92  1  0.916879  0.291541  0.387870  1
  S  S93  1  0.000204  0.416689  0.388341  1
  S  S94  1  0.916773  0.040990  0.389126  1
  S  S95  1  0.000135  0.166146  0.388361  1
  S  S96  1  0.083333  0.791613  0.627068  1
  S  S97  1  0.167199  0.917047  0.612672  1
  S  S98  1  0.083333  0.540569  0.611517  1
  S  S99  1  0.166913  0.666018  0.612570  1
  S  S100  1  0.250782  0.791729  0.612522  1
  S  S101  1  0.334456  0.917072  0.611425  1
  S  S102  1  0.083333  0.291331  0.609733  1
  S  S103  1  0.166769  0.416150  0.610010  1
  S  S104  1  0.250095  0.541138  0.610287  1
  S  S105  1  0.333531  0.666612  0.610360  1
  S  S106  1  0.417328  0.791803  0.609983  1
  S  S107  1  0.500436  0.916732  0.609806  1
  S  S108  1  0.083333  0.041608  0.610860  1
  S  S109  1  0.166733  0.166563  0.609971  1
  S  S110  1  0.250051  0.291527  0.609403  1
  S  S111  1  0.333412  0.416648  0.609276  1
  S  S112  1  0.416738  0.541771  0.609311  1
  S  S113  1  0.500114  0.666768  0.609134  1
  S  S114  1  0.583333  0.791627  0.609174  1
  S  S115  1  0.666231  0.916732  0.609806  1
  S  S116  1  0.250553  0.041854  0.610560  1
  S  S117  1  0.333424  0.166772  0.609560  1
  S  S118  1  0.416639  0.291827  0.609030  1
  S  S119  1  0.499987  0.416957  0.608876  1
  S  S120  1  0.583333  0.541944  0.608813  1
  S  S121  1  0.666553  0.666768  0.609134  1
  S  S122  1  0.749339  0.791803  0.609984  1
  S  S123  1  0.832211  0.917072  0.611424  1
  S  S124  1  0.417099  0.041885  0.610011  1
  S  S125  1  0.500077  0.166838  0.609324  1
  S  S126  1  0.583333  0.291949  0.608982  1
  S  S127  1  0.666680  0.416957  0.608876  1
  S  S128  1  0.749929  0.541771  0.609311  1
  S  S129  1  0.833135  0.666612  0.610360  1
  S  S130  1  0.915884  0.791729  0.612522  1
  S  S131  1  -0.000532  0.917047  0.612671  1
  S  S132  1  0.583333  0.041809  0.609639  1
  S  S133  1  0.666590  0.166838  0.609325  1
  S  S134  1  0.750028  0.291827  0.609030  1
  S  S135  1  0.833255  0.416648  0.609276  1
  S  S136  1  0.916572  0.541138  0.610287  1
  S  S137  1  -0.000247  0.666019  0.612570  1
  S  S138  1  0.749568  0.041885  0.610011  1
  S  S139  1  0.833243  0.166772  0.609560  1
  S  S140  1  0.916615  0.291527  0.609403  1
  S  S141  1  -0.000102  0.416150  0.610010  1
  S  S142  1  0.916114  0.041854  0.610560  1
  S  S143  1  -0.000066  0.166564  0.609972  1
  N  N144  1  0.083333  0.791647  0.438316  1
