# 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  0.791284  0.325191  1
  W  W2  1  0.002994  0.751546  0.510369  1
  W  W3  1  0.083333  0.872072  0.510196  1
  W  W4  1  -0.000028  0.500843  0.500512  1
  W  W5  1  0.083333  0.627260  0.504873  1
  W  W6  1  0.163672  0.751546  0.510370  1
  W  W7  1  0.247892  0.873930  0.504700  1
  W  W8  1  0.000124  0.250306  0.498947  1
  W  W9  1  0.083333  0.375691  0.499458  1
  W  W10  1  0.166695  0.500843  0.500513  1
  W  W11  1  0.249522  0.626021  0.501031  1
  W  W12  1  0.332239  0.749875  0.500890  1
  W  W13  1  0.416188  0.874468  0.500369  1
  W  W14  1  0.000699  -0.000753  0.501140  1
  W  W15  1  0.083333  0.125153  0.499417  1
  W  W16  1  0.166543  0.250305  0.498948  1
  W  W17  1  0.249820  0.375476  0.499067  1
  W  W18  1  0.333125  0.500509  0.499018  1
  W  W19  1  0.416648  0.625018  0.498949  1
  W  W20  1  0.499732  0.749752  0.498903  1
  W  W21  1  0.583333  0.874565  0.499376  1
  W  W22  1  0.165968  -0.000753  0.501140  1
  W  W23  1  0.249573  0.124763  0.499390  1
  W  W24  1  0.333042  0.250045  0.498892  1
  W  W25  1  0.416526  0.375152  0.498634  1
  W  W26  1  0.499921  0.500087  0.498360  1
  W  W27  1  0.583333  0.624959  0.498305  1
  W  W28  1  0.666935  0.749752  0.498903  1
  W  W29  1  0.750478  0.874468  0.500369  1
  W  W30  1  0.332655  -0.000412  0.500614  1
  W  W31  1  0.416335  0.124629  0.499431  1
  W  W32  1  0.499847  0.249804  0.498890  1
  W  W33  1  0.583334  0.375000  0.498530  1
  W  W34  1  0.666746  0.500087  0.498360  1
  W  W35  1  0.750019  0.625018  0.498949  1
  W  W36  1  0.834428  0.749875  0.500890  1
  W  W37  1  0.918774  0.873930  0.504699  1
  W  W38  1  0.499704  -0.000541  0.499769  1
  W  W39  1  0.583333  0.124565  0.499313  1
  W  W40  1  0.666820  0.249804  0.498889  1
  W  W41  1  0.750141  0.375152  0.498634  1
  W  W42  1  0.833541  0.500509  0.499018  1
  W  W43  1  0.917144  0.626021  0.501031  1
  W  W44  1  0.666963  -0.000541  0.499769  1
  W  W45  1  0.750332  0.124629  0.499432  1
  W  W46  1  0.833624  0.250045  0.498891  1
  W  W47  1  0.916846  0.375477  0.499066  1
  W  W48  1  0.834012  -0.000412  0.500614  1
  W  W49  1  0.917093  0.124763  0.499390  1
  S  S50  1  0.164453  0.912726  0.394084  1
  S  S51  1  0.083333  0.544189  0.391679  1
  S  S52  1  0.163704  0.670451  0.394150  1
  S  S53  1  0.244836  0.792021  0.394098  1
  S  S54  1  0.331075  0.915448  0.391608  1
  S  S55  1  0.083334  0.292355  0.388412  1
  S  S56  1  0.166416  0.417804  0.388982  1
  S  S57  1  0.249223  0.542941  0.389481  1
  S  S58  1  0.332473  0.667098  0.389594  1
  S  S59  1  0.415346  0.791542  0.389327  1
  S  S60  1  0.499374  0.916139  0.389125  1
  S  S61  1  0.083333  0.041019  0.389934  1
  S  S62  1  0.166569  0.166631  0.388482  1
  S  S63  1  0.249779  0.292022  0.388273  1
  S  S64  1  0.332999  0.417122  0.388262  1
  S  S65  1  0.416286  0.541887  0.387927  1
  S  S66  1  0.499707  0.666723  0.387799  1
  S  S67  1  0.583333  0.791501  0.388255  1
  S  S68  1  0.667292  0.916139  0.389125  1
  S  S69  1  0.249231  0.040627  0.389730  1
  S  S70  1  0.332983  0.166286  0.388671  1
  S  S71  1  0.416463  0.291567  0.388270  1
  S  S72  1  0.499881  0.416642  0.387862  1
  S  S73  1  0.583333  0.541661  0.387550  1
  S  S74  1  0.666960  0.666723  0.387799  1
  S  S75  1  0.751321  0.791542  0.389327  1
  S  S76  1  0.835591  0.915448  0.391607  1
  S  S77  1  0.415980  0.040867  0.389337  1
  S  S78  1  0.499792  0.166118  0.388698  1
  S  S79  1  0.583333  0.291388  0.388315  1
  S  S80  1  0.666786  0.416642  0.387862  1
  S  S81  1  0.750380  0.541887  0.387927  1
  S  S82  1  0.834194  0.667098  0.389594  1
  S  S83  1  0.921831  0.792021  0.394098  1
  S  S84  1  0.002214  0.912726  0.394084  1
  S  S85  1  0.583333  0.040933  0.389073  1
  S  S86  1  0.666875  0.166118  0.388698  1
  S  S87  1  0.750203  0.291567  0.388270  1
  S  S88  1  0.833668  0.417122  0.388261  1
  S  S89  1  0.917444  0.542942  0.389481  1
  S  S90  1  0.002962  0.670450  0.394150  1
  S  S91  1  0.750687  0.040867  0.389337  1
  S  S92  1  0.833684  0.166286  0.388671  1
  S  S93  1  0.916888  0.292022  0.388273  1
  S  S94  1  0.000251  0.417804  0.388982  1
  S  S95  1  0.917435  0.040627  0.389731  1
  S  S96  1  0.000098  0.166631  0.388482  1
  S  S97  1  0.083333  0.791771  0.623923  1
  S  S98  1  0.165917  0.917623  0.616389  1
  S  S99  1  0.083333  0.541609  0.612116  1
  S  S100  1  0.168031  0.666832  0.616526  1
  S  S101  1  0.250661  0.790626  0.616380  1
  S  S102  1  0.333608  0.916567  0.612012  1
  S  S103  1  0.083333  0.292041  0.609712  1
  S  S104  1  0.166797  0.416963  0.610379  1
  S  S105  1  0.250483  0.542073  0.610871  1
  S  S106  1  0.333945  0.666435  0.610928  1
  S  S107  1  0.416776  0.791024  0.610681  1
  S  S108  1  0.500092  0.916143  0.610498  1
  S  S109  1  0.083334  0.042253  0.611159  1
  S  S110  1  0.166563  0.167031  0.609929  1
  S  S111  1  0.249873  0.291966  0.609533  1
  S  S112  1  0.333370  0.416968  0.609463  1
  S  S113  1  0.416854  0.541689  0.609523  1
  S  S114  1  0.500177  0.666429  0.609470  1
  S  S115  1  0.583333  0.791128  0.609686  1
  S  S116  1  0.666574  0.916143  0.610498  1
  S  S117  1  0.249478  0.041835  0.611001  1
  S  S118  1  0.333011  0.166707  0.609752  1
  S  S119  1  0.416506  0.291747  0.609294  1
  S  S120  1  0.499986  0.416769  0.609078  1
  S  S121  1  0.583333  0.541649  0.609024  1
  S  S122  1  0.666490  0.666429  0.609470  1
  S  S123  1  0.749890  0.791024  0.610681  1
  S  S124  1  0.833059  0.916567  0.612011  1
  S  S125  1  0.416499  0.041465  0.610551  1
  S  S126  1  0.499890  0.166473  0.609694  1
  S  S127  1  0.583333  0.291630  0.609220  1
  S  S128  1  0.666681  0.416769  0.609078  1
  S  S129  1  0.749813  0.541689  0.609523  1
  S  S130  1  0.832722  0.666435  0.610928  1
  S  S131  1  0.916005  0.790626  0.616379  1
  S  S132  1  0.000750  0.917624  0.616388  1
  S  S133  1  0.583333  0.041264  0.610117  1
  S  S134  1  0.666776  0.166473  0.609694  1
  S  S135  1  0.750161  0.291747  0.609293  1
  S  S136  1  0.833297  0.416968  0.609463  1
  S  S137  1  0.916183  0.542073  0.610871  1
  S  S138  1  -0.001364  0.666832  0.616526  1
  S  S139  1  0.750167  0.041465  0.610552  1
  S  S140  1  0.833656  0.166707  0.609752  1
  S  S141  1  0.916794  0.291966  0.609532  1
  S  S142  1  -0.000130  0.416963  0.610378  1
  S  S143  1  0.917188  0.041835  0.611002  1
  S  S144  1  0.000104  0.167031  0.609929  1
