# generated using pymatgen
data_SrW48S95
_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   SrW48S95
_chemical_formula_sum   'Sr1 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
  Sr  Sr1  1  0.083352  0.801059  0.310801  1
  W  W2  1  0.005228  0.749585  0.511698  1
  W  W3  1  0.083332  0.874757  0.514915  1
  W  W4  1  0.000014  0.500328  0.501301  1
  W  W5  1  0.083337  0.625716  0.506160  1
  W  W6  1  0.161434  0.749583  0.511695  1
  W  W7  1  0.248160  0.874482  0.505528  1
  W  W8  1  0.000038  0.250137  0.499614  1
  W  W9  1  0.083338  0.375249  0.500163  1
  W  W10  1  0.166655  0.500324  0.501294  1
  W  W11  1  0.249164  0.625692  0.501501  1
  W  W12  1  0.331588  0.749853  0.500851  1
  W  W13  1  0.416044  0.874503  0.499881  1
  W  W14  1  0.000499  -0.000288  0.503091  1
  W  W15  1  0.083332  0.125148  0.500689  1
  W  W16  1  0.166633  0.250135  0.499612  1
  W  W17  1  0.249911  0.375165  0.499332  1
  W  W18  1  0.333064  0.500286  0.498964  1
  W  W19  1  0.416326  0.625019  0.498444  1
  W  W20  1  0.499460  0.749783  0.498062  1
  W  W21  1  0.583330  0.874607  0.498421  1
  W  W22  1  0.166161  -0.000290  0.503085  1
  W  W23  1  0.249787  0.124861  0.500007  1
  W  W24  1  0.333204  0.249971  0.498795  1
  W  W25  1  0.416569  0.375047  0.498118  1
  W  W26  1  0.499901  0.500006  0.497676  1
  W  W27  1  0.583333  0.624947  0.497525  1
  W  W28  1  0.667203  0.749784  0.498071  1
  W  W29  1  0.750617  0.874509  0.499895  1
  W  W30  1  0.332773  -0.000356  0.500845  1
  W  W31  1  0.416498  0.124732  0.498947  1
  W  W32  1  0.499947  0.249856  0.498054  1
  W  W33  1  0.583336  0.374939  0.497641  1
  W  W34  1  0.666770  0.500009  0.497680  1
  W  W35  1  0.750339  0.625025  0.498456  1
  W  W36  1  0.835075  0.749860  0.500862  1
  W  W37  1  0.918504  0.874487  0.505537  1
  W  W38  1  0.499783  -0.000440  0.498953  1
  W  W39  1  0.583331  0.124703  0.498383  1
  W  W40  1  0.666721  0.249858  0.498053  1
  W  W41  1  0.750106  0.375052  0.498116  1
  W  W42  1  0.833606  0.500293  0.498974  1
  W  W43  1  0.917499  0.625698  0.501509  1
  W  W44  1  0.666878  -0.000437  0.498956  1
  W  W45  1  0.750166  0.124738  0.498950  1
  W  W46  1  0.833466  0.249977  0.498795  1
  W  W47  1  0.916765  0.375173  0.499331  1
  W  W48  1  0.833888  -0.000348  0.500856  1
  W  W49  1  0.916876  0.124868  0.500011  1
  S  S50  1  0.163478  0.913204  0.395833  1
  S  S51  1  0.083331  0.543387  0.392436  1
  S  S52  1  0.162701  0.669919  0.394498  1
  S  S53  1  0.242209  0.791444  0.395015  1
  S  S54  1  0.330756  0.915546  0.391756  1
  S  S55  1  0.083337  0.291994  0.389037  1
  S  S56  1  0.166330  0.417420  0.389535  1
  S  S57  1  0.248844  0.542727  0.389831  1
  S  S58  1  0.331691  0.667098  0.389482  1
  S  S59  1  0.414519  0.791482  0.388844  1
  S  S60  1  0.499208  0.916147  0.388362  1
  S  S61  1  0.083330  0.041020  0.391550  1
  S  S62  1  0.166426  0.166473  0.389303  1
  S  S63  1  0.249641  0.291800  0.388458  1
  S  S64  1  0.332763  0.416946  0.388060  1
  S  S65  1  0.415989  0.541786  0.387526  1
  S  S66  1  0.499455  0.666637  0.387167  1
  S  S67  1  0.583334  0.791415  0.387535  1
  S  S68  1  0.667453  0.916148  0.388369  1
  S  S69  1  0.248892  0.040683  0.390557  1
  S  S70  1  0.332813  0.166255  0.388538  1
  S  S71  1  0.416317  0.291505  0.387588  1
  S  S72  1  0.499780  0.416577  0.387010  1
  S  S73  1  0.583338  0.541600  0.386806  1
  S  S74  1  0.667211  0.666642  0.387174  1
  S  S75  1  0.752144  0.791489  0.388858  1
  S  S76  1  0.835906  0.915552  0.391766  1
  S  S77  1  0.415735  0.040938  0.388904  1
  S  S78  1  0.499738  0.166201  0.387729  1
  S  S79  1  0.583334  0.291378  0.387130  1
  S  S80  1  0.666892  0.416581  0.387007  1
  S  S81  1  0.750684  0.541793  0.387534  1
  S  S82  1  0.834970  0.667107  0.389495  1
  S  S83  1  0.924451  0.791450  0.395026  1
  S  S84  1  0.003183  0.913207  0.395841  1
  S  S85  1  0.583332  0.041066  0.388092  1
  S  S86  1  0.666926  0.166203  0.387732  1
  S  S87  1  0.750353  0.291507  0.387587  1
  S  S88  1  0.833910  0.416957  0.388061  1
  S  S89  1  0.917823  0.542732  0.389839  1
  S  S90  1  0.003963  0.669915  0.394500  1
  S  S91  1  0.750929  0.040944  0.388913  1
  S  S92  1  0.833848  0.166262  0.388541  1
  S  S93  1  0.917033  0.291806  0.388462  1
  S  S94  1  0.000349  0.417425  0.389540  1
  S  S95  1  0.917767  0.040688  0.390563  1
  S  S96  1  0.000239  0.166476  0.389302  1
  S  S97  1  0.083334  0.792305  0.625693  1
  S  S98  1  0.168193  0.918431  0.618887  1
  S  S99  1  0.083338  0.540473  0.613670  1
  S  S100  1  0.167937  0.665828  0.617772  1
  S  S101  1  0.250102  0.790903  0.616051  1
  S  S102  1  0.334128  0.916572  0.612308  1
  S  S103  1  0.083336  0.291707  0.610508  1
  S  S104  1  0.166972  0.416402  0.611003  1
  S  S105  1  0.250688  0.541668  0.611225  1
  S  S106  1  0.333877  0.666542  0.610594  1
  S  S107  1  0.416527  0.790974  0.609988  1
  S  S108  1  0.500231  0.916190  0.609598  1
  S  S109  1  0.083331  0.042618  0.612914  1
  S  S110  1  0.166858  0.167079  0.610854  1
  S  S111  1  0.250251  0.291763  0.609947  1
  S  S112  1  0.333663  0.416740  0.609430  1
  S  S113  1  0.416980  0.541641  0.609021  1
  S  S114  1  0.500144  0.666466  0.608610  1
  S  S115  1  0.583329  0.791125  0.608592  1
  S  S116  1  0.666424  0.916194  0.609604  1
  S  S117  1  0.250264  0.042214  0.611939  1
  S  S118  1  0.333569  0.166806  0.609881  1
  S  S119  1  0.416856  0.291731  0.608956  1
  S  S120  1  0.500136  0.416682  0.608484  1
  S  S121  1  0.583332  0.541631  0.608256  1
  S  S122  1  0.666516  0.666466  0.608617  1
  S  S123  1  0.750133  0.790977  0.609998  1
  S  S124  1  0.832534  0.916582  0.612321  1
  S  S125  1  0.416981  0.041622  0.610171  1
  S  S126  1  0.500119  0.166642  0.609085  1
  S  S127  1  0.583334  0.291675  0.608583  1
  S  S128  1  0.666539  0.416683  0.608483  1
  S  S129  1  0.749686  0.541647  0.609031  1
  S  S130  1  0.832787  0.666552  0.610603  1
  S  S131  1  0.916562  0.790914  0.616060  1
  S  S132  1  -0.001524  0.918432  0.618897  1
  S  S133  1  0.583329  0.041418  0.609282  1
  S  S134  1  0.666540  0.166649  0.609086  1
  S  S135  1  0.749814  0.291733  0.608954  1
  S  S136  1  0.833016  0.416744  0.609431  1
  S  S137  1  0.915984  0.541676  0.611231  1
  S  S138  1  -0.001265  0.665830  0.617773  1
  S  S139  1  0.749675  0.041631  0.610178  1
  S  S140  1  0.833097  0.166814  0.609885  1
  S  S141  1  0.916424  0.291772  0.609947  1
  S  S142  1  -0.000292  0.416403  0.611006  1
  S  S143  1  0.916400  0.042220  0.611945  1
  S  S144  1  -0.000187  0.167081  0.610854  1
