# 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  0.083294  0.795127  0.330258  1
  W  W2  1  0.004342  0.749524  0.506991  1
  W  W3  1  0.083404  0.874619  0.507259  1
  W  W4  1  -0.000073  0.500177  0.501284  1
  W  W5  1  0.083306  0.625828  0.504036  1
  W  W6  1  0.162268  0.749610  0.506964  1
  W  W7  1  0.247955  0.874761  0.502757  1
  W  W8  1  -0.000007  0.250221  0.500068  1
  W  W9  1  0.083323  0.375232  0.500613  1
  W  W10  1  0.166703  0.500189  0.501261  1
  W  W11  1  0.249472  0.625326  0.500907  1
  W  W12  1  0.331770  0.749885  0.499679  1
  W  W13  1  0.416093  0.874633  0.499501  1
  W  W14  1  0.000380  0.000061  0.501850  1
  W  W15  1  0.083352  0.125376  0.500588  1
  W  W16  1  0.166687  0.250232  0.500079  1
  W  W17  1  0.250003  0.375166  0.500082  1
  W  W18  1  0.333249  0.500169  0.499717  1
  W  W19  1  0.416471  0.625003  0.498894  1
  W  W20  1  0.499574  0.749821  0.498302  1
  W  W21  1  0.583341  0.874661  0.498715  1
  W  W22  1  0.166342  0.000082  0.501879  1
  W  W23  1  0.249940  0.125085  0.500217  1
  W  W24  1  0.333352  0.250070  0.499703  1
  W  W25  1  0.416698  0.375031  0.499373  1
  W  W26  1  0.499948  0.500043  0.498891  1
  W  W27  1  0.583321  0.624987  0.498310  1
  W  W28  1  0.667082  0.749814  0.498309  1
  W  W29  1  0.750591  0.874616  0.499470  1
  W  W30  1  0.332943  -0.000155  0.500523  1
  W  W31  1  0.416602  0.124812  0.499790  1
  W  W32  1  0.500001  0.249874  0.499467  1
  W  W33  1  0.583324  0.374982  0.499159  1
  W  W34  1  0.666686  0.500031  0.498910  1
  W  W35  1  0.750163  0.624985  0.498933  1
  W  W36  1  0.834878  0.749860  0.499705  1
  W  W37  1  0.918739  0.874723  0.502734  1
  W  W38  1  0.499847  -0.000352  0.499491  1
  W  W39  1  0.583348  0.124718  0.499539  1
  W  W40  1  0.666671  0.249864  0.499452  1
  W  W41  1  0.749946  0.375013  0.499393  1
  W  W42  1  0.833379  0.500140  0.499756  1
  W  W43  1  0.917157  0.625291  0.500960  1
  W  W44  1  0.666853  -0.000364  0.499450  1
  W  W45  1  0.750095  0.124790  0.499727  1
  W  W46  1  0.833320  0.250048  0.499678  1
  W  W47  1  0.916641  0.375146  0.500097  1
  W  W48  1  0.833775  -0.000181  0.500458  1
  W  W49  1  0.916766  0.125062  0.500170  1
  S  S50  1  0.164935  0.915191  0.392450  1
  S  S51  1  0.083311  0.542730  0.391721  1
  S  S52  1  0.164056  0.668080  0.392463  1
  S  S53  1  0.244028  0.791856  0.392497  1
  S  S54  1  0.331492  0.916055  0.390568  1
  S  S55  1  0.083339  0.292050  0.389455  1
  S  S56  1  0.166460  0.417133  0.389934  1
  S  S57  1  0.249293  0.542063  0.389897  1
  S  S58  1  0.332238  0.666701  0.389094  1
  S  S59  1  0.415159  0.791574  0.388490  1
  S  S60  1  0.499462  0.916410  0.388555  1
  S  S61  1  0.083364  0.041677  0.390733  1
  S  S62  1  0.166618  0.166783  0.389482  1
  S  S63  1  0.249914  0.291865  0.389150  1
  S  S64  1  0.333103  0.416782  0.388971  1
  S  S65  1  0.416266  0.541592  0.388349  1
  S  S66  1  0.499632  0.666535  0.387663  1
  S  S67  1  0.583333  0.791484  0.387726  1
  S  S68  1  0.667221  0.916391  0.388523  1
  S  S69  1  0.249425  0.041324  0.390137  1
  S  S70  1  0.333211  0.166556  0.389162  1
  S  S71  1  0.416633  0.291576  0.388735  1
  S  S72  1  0.499921  0.416564  0.388355  1
  S  S73  1  0.583326  0.541498  0.387879  1
  S  S74  1  0.667025  0.666528  0.387677  1
  S  S75  1  0.751505  0.791546  0.388485  1
  S  S76  1  0.835208  0.916020  0.390531  1
  S  S77  1  0.416164  0.041307  0.389240  1
  S  S78  1  0.499919  0.166392  0.388888  1
  S  S79  1  0.583330  0.291467  0.388622  1
  S  S80  1  0.666732  0.416557  0.388365  1
  S  S81  1  0.750373  0.541579  0.388386  1
  S  S82  1  0.834403  0.666671  0.389140  1
  S  S83  1  0.922619  0.791802  0.392498  1
  S  S84  1  0.001808  0.915142  0.392464  1
  S  S85  1  0.583340  0.041331  0.388803  1
  S  S86  1  0.666757  0.166387  0.388858  1
  S  S87  1  0.750033  0.291572  0.388727  1
  S  S88  1  0.833534  0.416762  0.388996  1
  S  S89  1  0.917328  0.542041  0.389933  1
  S  S90  1  0.002538  0.668025  0.392463  1
  S  S91  1  0.750546  0.041275  0.389183  1
  S  S92  1  0.833489  0.166543  0.389118  1
  S  S93  1  0.916757  0.291854  0.389143  1
  S  S94  1  0.000169  0.417129  0.389950  1
  S  S95  1  0.917306  0.041297  0.390081  1
  S  S96  1  0.000093  0.166778  0.389464  1
  S  S97  1  0.083319  0.792451  0.619139  1
  S  S98  1  0.166806  0.917748  0.615179  1
  S  S99  1  0.083320  0.541098  0.612857  1
  S  S100  1  0.167746  0.666561  0.615183  1
  S  S101  1  0.249387  0.790882  0.613371  1
  S  S102  1  0.333416  0.916409  0.611126  1
  S  S103  1  0.083333  0.291734  0.611013  1
  S  S104  1  0.166883  0.416544  0.611463  1
  S  S105  1  0.250526  0.541722  0.611374  1
  S  S106  1  0.333669  0.666816  0.610301  1
  S  S107  1  0.416204  0.791080  0.609586  1
  S  S108  1  0.500030  0.916113  0.609824  1
  S  S109  1  0.083343  0.042475  0.612143  1
  S  S110  1  0.166831  0.167046  0.611064  1
  S  S111  1  0.250188  0.291774  0.610701  1
  S  S112  1  0.333630  0.416757  0.610436  1
  S  S113  1  0.416913  0.541843  0.609934  1
  S  S114  1  0.500050  0.666655  0.609179  1
  S  S115  1  0.583330  0.791203  0.608962  1
  S  S116  1  0.666669  0.916109  0.609792  1
  S  S117  1  0.250182  0.042072  0.611558  1
  S  S118  1  0.333517  0.166795  0.610611  1
  S  S119  1  0.416825  0.291721  0.610262  1
  S  S120  1  0.500097  0.416796  0.609880  1
  S  S121  1  0.583313  0.541834  0.609415  1
  S  S122  1  0.666578  0.666651  0.609198  1
  S  S123  1  0.750451  0.791078  0.609585  1
  S  S124  1  0.833286  0.916393  0.611074  1
  S  S125  1  0.416822  0.041465  0.610634  1
  S  S126  1  0.500098  0.166519  0.610324  1
  S  S127  1  0.583337  0.291671  0.610090  1
  S  S128  1  0.666533  0.416783  0.609897  1
  S  S129  1  0.749712  0.541819  0.609970  1
  S  S130  1  0.832959  0.666799  0.610341  1
  S  S131  1  0.917254  0.790878  0.613388  1
  S  S132  1  -0.000105  0.917717  0.615140  1
  S  S133  1  0.583361  0.041257  0.610147  1
  S  S134  1  0.666616  0.166501  0.610293  1
  S  S135  1  0.749845  0.291688  0.610256  1
  S  S136  1  0.833006  0.416722  0.610472  1
  S  S137  1  0.916099  0.541682  0.611416  1
  S  S138  1  -0.001116  0.666515  0.615240  1
  S  S139  1  0.749902  0.041445  0.610563  1
  S  S140  1  0.833179  0.166760  0.610554  1
  S  S141  1  0.916477  0.291738  0.610692  1
  S  S142  1  -0.000240  0.416527  0.611476  1
  S  S143  1  0.916531  0.042043  0.611502  1
  S  S144  1  -0.000145  0.167030  0.611041  1
