# 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  0.793826  0.340093  1
  W  W2  1  0.002311  0.748587  0.502474  1
  W  W3  1  0.083334  0.876086  0.502589  1
  W  W4  1  0.000021  0.499505  0.500728  1
  W  W5  1  0.083333  0.624383  0.501731  1
  W  W6  1  0.164356  0.748588  0.502473  1
  W  W7  1  0.249140  0.875507  0.500858  1
  W  W8  1  -0.000040  0.249842  0.499936  1
  W  W9  1  0.083333  0.374642  0.500113  1
  W  W10  1  0.166645  0.499505  0.500728  1
  W  W11  1  0.249569  0.624690  0.501059  1
  W  W12  1  0.332500  0.750170  0.500607  1
  W  W13  1  0.416422  0.875106  0.500139  1
  W  W14  1  -0.000193  0.000338  0.501497  1
  W  W15  1  0.083333  0.125070  0.500498  1
  W  W16  1  0.166707  0.249842  0.499936  1
  W  W17  1  0.250025  0.374771  0.499978  1
  W  W18  1  0.333241  0.499907  0.500146  1
  W  W19  1  0.416374  0.625171  0.500103  1
  W  W20  1  0.499727  0.750223  0.499869  1
  W  W21  1  0.583333  0.875113  0.499875  1
  W  W22  1  0.166860  0.000339  0.501497  1
  W  W23  1  0.250159  0.125024  0.500203  1
  W  W24  1  0.333400  0.249945  0.499845  1
  W  W25  1  0.416660  0.375011  0.499846  1
  W  W26  1  0.499933  0.500173  0.499893  1
  W  W27  1  0.583333  0.625253  0.499837  1
  W  W28  1  0.666939  0.750222  0.499870  1
  W  W29  1  0.750245  0.875106  0.500139  1
  W  W30  1  0.333429  0.000069  0.500448  1
  W  W31  1  0.416747  0.125003  0.499946  1
  W  W32  1  0.500019  0.250048  0.499827  1
  W  W33  1  0.583333  0.375118  0.499847  1
  W  W34  1  0.666733  0.500173  0.499893  1
  W  W35  1  0.750292  0.625170  0.500103  1
  W  W36  1  0.834166  0.750169  0.500607  1
  W  W37  1  0.917527  0.875507  0.500858  1
  W  W38  1  0.500015  0.000055  0.499937  1
  W  W39  1  0.583333  0.125052  0.499840  1
  W  W40  1  0.666648  0.250048  0.499827  1
  W  W41  1  0.750006  0.375010  0.499846  1
  W  W42  1  0.833425  0.499907  0.500146  1
  W  W43  1  0.917097  0.624689  0.501059  1
  W  W44  1  0.666652  0.000055  0.499937  1
  W  W45  1  0.749920  0.125003  0.499946  1
  W  W46  1  0.833266  0.249944  0.499845  1
  W  W47  1  0.916641  0.374771  0.499978  1
  W  W48  1  0.833239  0.000069  0.500447  1
  W  W49  1  0.916508  0.125024  0.500202  1
  S  S50  1  0.165828  0.916605  0.390279  1
  S  S51  1  0.083333  0.541373  0.390409  1
  S  S52  1  0.165244  0.666589  0.390275  1
  S  S53  1  0.246887  0.791565  0.390966  1
  S  S54  1  0.332745  0.916607  0.389901  1
  S  S55  1  0.083333  0.291455  0.389180  1
  S  S56  1  0.166619  0.416490  0.389469  1
  S  S57  1  0.249596  0.541631  0.389893  1
  S  S58  1  0.332458  0.666833  0.389993  1
  S  S59  1  0.415788  0.791767  0.389486  1
  S  S60  1  0.499821  0.916670  0.389259  1
  S  S61  1  0.083334  0.041500  0.390540  1
  S  S62  1  0.166666  0.166432  0.389423  1
  S  S63  1  0.249992  0.291518  0.389125  1
  S  S64  1  0.333240  0.416673  0.389239  1
  S  S65  1  0.416402  0.541855  0.389354  1
  S  S66  1  0.499719  0.666865  0.389268  1
  S  S67  1  0.583333  0.791774  0.389204  1
  S  S68  1  0.666846  0.916670  0.389259  1
  S  S69  1  0.249907  0.041483  0.389858  1
  S  S70  1  0.333363  0.166558  0.389223  1
  S  S71  1  0.416666  0.291685  0.389097  1
  S  S72  1  0.499960  0.416822  0.389174  1
  S  S73  1  0.583333  0.541885  0.389212  1
  S  S74  1  0.666948  0.666865  0.389268  1
  S  S75  1  0.750879  0.791766  0.389486  1
  S  S76  1  0.833923  0.916607  0.389901  1
  S  S77  1  0.416570  0.041588  0.389319  1
  S  S78  1  0.499986  0.166680  0.389132  1
  S  S79  1  0.583333  0.291761  0.389132  1
  S  S80  1  0.666707  0.416822  0.389174  1
  S  S81  1  0.750264  0.541855  0.389354  1
  S  S82  1  0.834208  0.666833  0.389993  1
  S  S83  1  0.919780  0.791565  0.390966  1
  S  S84  1  0.000839  0.916605  0.390279  1
  S  S85  1  0.583333  0.041671  0.389155  1
  S  S86  1  0.666681  0.166680  0.389132  1
  S  S87  1  0.750000  0.291685  0.389097  1
  S  S88  1  0.833427  0.416673  0.389239  1
  S  S89  1  0.917070  0.541631  0.389893  1
  S  S90  1  0.001422  0.666588  0.390275  1
  S  S91  1  0.750097  0.041587  0.389319  1
  S  S92  1  0.833304  0.166558  0.389223  1
  S  S93  1  0.916675  0.291518  0.389125  1
  S  S94  1  0.000048  0.416490  0.389469  1
  S  S95  1  0.916760  0.041483  0.389858  1
  S  S96  1  0.000001  0.166432  0.389423  1
  S  S97  1  0.083333  0.792192  0.611451  1
  S  S98  1  0.167339  0.917317  0.612563  1
  S  S99  1  0.083333  0.540743  0.612007  1
  S  S100  1  0.166698  0.665883  0.612956  1
  S  S101  1  0.249142  0.791755  0.611543  1
  S  S102  1  0.333227  0.916655  0.611104  1
  S  S103  1  0.083333  0.291359  0.610713  1
  S  S104  1  0.166720  0.416073  0.611031  1
  S  S105  1  0.250074  0.541225  0.611351  1
  S  S106  1  0.333144  0.666832  0.611014  1
  S  S107  1  0.416247  0.791723  0.610739  1
  S  S108  1  0.499976  0.916699  0.610652  1
  S  S109  1  0.083333  0.042104  0.611769  1
  S  S110  1  0.166814  0.166717  0.610926  1
  S  S111  1  0.250062  0.291474  0.610641  1
  S  S112  1  0.333363  0.416508  0.610698  1
  S  S113  1  0.416610  0.541791  0.610713  1
  S  S114  1  0.499896  0.666894  0.610549  1
  S  S115  1  0.583333  0.791750  0.610485  1
  S  S116  1  0.666691  0.916699  0.610652  1
  S  S117  1  0.250436  0.041991  0.611446  1
  S  S118  1  0.333523  0.166746  0.610749  1
  S  S119  1  0.416695  0.291679  0.610560  1
  S  S120  1  0.499979  0.416787  0.610546  1
  S  S121  1  0.583333  0.541892  0.610518  1
  S  S122  1  0.666770  0.666894  0.610549  1
  S  S123  1  0.750419  0.791723  0.610740  1
  S  S124  1  0.833440  0.916655  0.611104  1
  S  S125  1  0.416869  0.041736  0.610866  1
  S  S126  1  0.500061  0.166731  0.610600  1
  S  S127  1  0.583333  0.291758  0.610545  1
  S  S128  1  0.666688  0.416787  0.610546  1
  S  S129  1  0.750057  0.541791  0.610713  1
  S  S130  1  0.833521  0.666831  0.611015  1
  S  S131  1  0.917524  0.791755  0.611543  1
  S  S132  1  -0.000671  0.917316  0.612563  1
  S  S133  1  0.583333  0.041729  0.610620  1
  S  S134  1  0.666606  0.166731  0.610600  1
  S  S135  1  0.749972  0.291679  0.610560  1
  S  S136  1  0.833304  0.416508  0.610698  1
  S  S137  1  0.916591  0.541224  0.611352  1
  S  S138  1  -0.000032  0.665882  0.612956  1
  S  S139  1  0.749798  0.041736  0.610865  1
  S  S140  1  0.833144  0.166745  0.610748  1
  S  S141  1  0.916604  0.291474  0.610641  1
  S  S142  1  -0.000053  0.416072  0.611031  1
  S  S143  1  0.916231  0.041990  0.611446  1
  S  S144  1  -0.000147  0.166717  0.610926  1
