# generated using pymatgen
data_SnW48S95
_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   SnW48S95
_chemical_formula_sum   'Sn1 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
  Sn  Sn1  1  0.083333  0.792478  0.323927  1
  W  W2  1  0.002961  0.751561  0.510288  1
  W  W3  1  0.083333  0.872028  0.510304  1
  W  W4  1  0.000000  0.500946  0.500539  1
  W  W5  1  0.083333  0.627337  0.504876  1
  W  W6  1  0.163705  0.751561  0.510289  1
  W  W7  1  0.247873  0.873873  0.504733  1
  W  W8  1  0.000148  0.250239  0.498971  1
  W  W9  1  0.083334  0.375707  0.499478  1
  W  W10  1  0.166666  0.500946  0.500539  1
  W  W11  1  0.249481  0.626095  0.501036  1
  W  W12  1  0.332187  0.749903  0.500882  1
  W  W13  1  0.416124  0.874408  0.500413  1
  W  W14  1  0.000732  -0.000873  0.501169  1
  W  W15  1  0.083333  0.125016  0.499429  1
  W  W16  1  0.166519  0.250239  0.498971  1
  W  W17  1  0.249783  0.375495  0.499065  1
  W  W18  1  0.333056  0.500621  0.499014  1
  W  W19  1  0.416580  0.625121  0.498946  1
  W  W20  1  0.499695  0.749797  0.498920  1
  W  W21  1  0.583333  0.874524  0.499408  1
  W  W22  1  0.165934  -0.000873  0.501169  1
  W  W23  1  0.249516  0.124629  0.499405  1
  W  W24  1  0.332989  0.249995  0.498874  1
  W  W25  1  0.416471  0.375202  0.498604  1
  W  W26  1  0.499909  0.500186  0.498342  1
  W  W27  1  0.583334  0.625080  0.498303  1
  W  W28  1  0.666972  0.749797  0.498920  1
  W  W29  1  0.750542  0.874408  0.500413  1
  W  W30  1  0.332571  -0.000526  0.500651  1
  W  W31  1  0.416281  0.124545  0.499414  1
  W  W32  1  0.499838  0.249778  0.498846  1
  W  W33  1  0.583333  0.375060  0.498486  1
  W  W34  1  0.666759  0.500185  0.498341  1
  W  W35  1  0.750087  0.625120  0.498946  1
  W  W36  1  0.834480  0.749903  0.500882  1
  W  W37  1  0.918794  0.873873  0.504732  1
  W  W38  1  0.499676  -0.000639  0.499822  1
  W  W39  1  0.583333  0.124473  0.499317  1
  W  W40  1  0.666829  0.249778  0.498845  1
  W  W41  1  0.750197  0.375201  0.498604  1
  W  W42  1  0.833611  0.500621  0.499014  1
  W  W43  1  0.917186  0.626095  0.501035  1
  W  W44  1  0.666991  -0.000639  0.499822  1
  W  W45  1  0.750386  0.124545  0.499414  1
  W  W46  1  0.833677  0.249995  0.498874  1
  W  W47  1  0.916884  0.375495  0.499065  1
  W  W48  1  0.834095  -0.000526  0.500651  1
  W  W49  1  0.917150  0.124629  0.499405  1
  S  S50  1  0.164429  0.912563  0.394052  1
  S  S51  1  0.083333  0.544285  0.391700  1
  S  S52  1  0.163651  0.670551  0.394115  1
  S  S53  1  0.244760  0.792041  0.394009  1
  S  S54  1  0.331055  0.915368  0.391624  1
  S  S55  1  0.083333  0.292321  0.388520  1
  S  S56  1  0.166385  0.417882  0.389066  1
  S  S57  1  0.249147  0.543065  0.389473  1
  S  S58  1  0.332400  0.667167  0.389562  1
  S  S59  1  0.415271  0.791537  0.389315  1
  S  S60  1  0.499339  0.916048  0.389204  1
  S  S61  1  0.083333  0.040877  0.389931  1
  S  S62  1  0.166542  0.166522  0.388562  1
  S  S63  1  0.249713  0.292011  0.388369  1
  S  S64  1  0.332916  0.417211  0.388333  1
  S  S65  1  0.416221  0.541998  0.388002  1
  S  S66  1  0.499672  0.666818  0.387841  1
  S  S67  1  0.583333  0.791510  0.388303  1
  S  S68  1  0.667328  0.916048  0.389204  1
  S  S69  1  0.249154  0.040478  0.389745  1
  S  S70  1  0.332907  0.166191  0.388753  1
  S  S71  1  0.416410  0.291561  0.388366  1
  S  S72  1  0.499842  0.416736  0.387959  1
  S  S73  1  0.583333  0.541806  0.387609  1
  S  S74  1  0.666996  0.666818  0.387840  1
  S  S75  1  0.751396  0.791537  0.389315  1
  S  S76  1  0.835611  0.915368  0.391623  1
  S  S77  1  0.415921  0.040736  0.389427  1
  S  S78  1  0.499767  0.166032  0.388803  1
  S  S79  1  0.583333  0.291399  0.388395  1
  S  S80  1  0.666825  0.416736  0.387959  1
  S  S81  1  0.750446  0.541998  0.388002  1
  S  S82  1  0.834267  0.667166  0.389561  1
  S  S83  1  0.921906  0.792041  0.394009  1
  S  S84  1  0.002238  0.912563  0.394052  1
  S  S85  1  0.583333  0.040803  0.389188  1
  S  S86  1  0.666900  0.166032  0.388803  1
  S  S87  1  0.750257  0.291561  0.388366  1
  S  S88  1  0.833751  0.417211  0.388333  1
  S  S89  1  0.917519  0.543065  0.389473  1
  S  S90  1  0.003016  0.670551  0.394115  1
  S  S91  1  0.750745  0.040736  0.389427  1
  S  S92  1  0.833760  0.166191  0.388753  1
  S  S93  1  0.916953  0.292012  0.388369  1
  S  S94  1  0.000282  0.417882  0.389066  1
  S  S95  1  0.917512  0.040478  0.389745  1
  S  S96  1  0.000124  0.166522  0.388562  1
  S  S97  1  0.083333  0.791709  0.623891  1
  S  S98  1  0.165918  0.917500  0.616511  1
  S  S99  1  0.083334  0.541713  0.612180  1
  S  S100  1  0.167987  0.666932  0.616567  1
  S  S101  1  0.250580  0.790597  0.616441  1
  S  S102  1  0.333561  0.916484  0.612095  1
  S  S103  1  0.083333  0.292010  0.609670  1
  S  S104  1  0.166779  0.417029  0.610331  1
  S  S105  1  0.250431  0.542192  0.610896  1
  S  S106  1  0.333867  0.666521  0.610966  1
  S  S107  1  0.416692  0.790991  0.610720  1
  S  S108  1  0.500059  0.916035  0.610506  1
  S  S109  1  0.083333  0.042103  0.611213  1
  S  S110  1  0.166530  0.166918  0.609902  1
  S  S111  1  0.249826  0.291948  0.609451  1
  S  S112  1  0.333311  0.417042  0.609369  1
  S  S113  1  0.416801  0.541799  0.609462  1
  S  S114  1  0.500139  0.666513  0.609448  1
  S  S115  1  0.583334  0.791122  0.609702  1
  S  S116  1  0.666607  0.916034  0.610507  1
  S  S117  1  0.249393  0.041693  0.611053  1
  S  S118  1  0.332951  0.166620  0.609663  1
  S  S119  1  0.416464  0.291744  0.609138  1
  S  S120  1  0.499955  0.416850  0.608947  1
  S  S121  1  0.583335  0.541767  0.608924  1
  S  S122  1  0.666529  0.666513  0.609448  1
  S  S123  1  0.749975  0.790990  0.610720  1
  S  S124  1  0.833105  0.916484  0.612095  1
  S  S125  1  0.416430  0.041365  0.610514  1
  S  S126  1  0.499860  0.166405  0.609557  1
  S  S127  1  0.583333  0.291647  0.609056  1
  S  S128  1  0.666713  0.416849  0.608947  1
  S  S129  1  0.749866  0.541799  0.609462  1
  S  S130  1  0.832800  0.666521  0.610966  1
  S  S131  1  0.916087  0.790597  0.616441  1
  S  S132  1  0.000749  0.917500  0.616511  1
  S  S133  1  0.583333  0.041163  0.610090  1
  S  S134  1  0.666807  0.166405  0.609557  1
  S  S135  1  0.750203  0.291744  0.609138  1
  S  S136  1  0.833355  0.417042  0.609369  1
  S  S137  1  0.916236  0.542192  0.610897  1
  S  S138  1  -0.001320  0.666932  0.616567  1
  S  S139  1  0.750236  0.041365  0.610513  1
  S  S140  1  0.833716  0.166621  0.609663  1
  S  S141  1  0.916841  0.291948  0.609451  1
  S  S142  1  -0.000112  0.417029  0.610331  1
  S  S143  1  0.917272  0.041692  0.611053  1
  S  S144  1  0.000136  0.166918  0.609902  1
