# 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  0.083333  0.792077  0.302529  1
  W  W2  1  0.003395  0.751697  0.513805  1
  W  W3  1  0.083333  0.871625  0.513775  1
  W  W4  1  0.000030  0.500929  0.500804  1
  W  W5  1  0.083333  0.627067  0.506332  1
  W  W6  1  0.163272  0.751696  0.513806  1
  W  W7  1  0.247977  0.873959  0.506202  1
  W  W8  1  0.000146  0.250246  0.498612  1
  W  W9  1  0.083333  0.375631  0.499327  1
  W  W10  1  0.166637  0.500929  0.500804  1
  W  W11  1  0.249351  0.626176  0.501748  1
  W  W12  1  0.331960  0.749905  0.501621  1
  W  W13  1  0.415996  0.874439  0.500720  1
  W  W14  1  0.000811  -0.000978  0.501905  1
  W  W15  1  0.083333  0.124947  0.499395  1
  W  W16  1  0.166520  0.250246  0.498612  1
  W  W17  1  0.249784  0.375472  0.498691  1
  W  W18  1  0.333035  0.500583  0.498720  1
  W  W19  1  0.416466  0.625135  0.498747  1
  W  W20  1  0.499602  0.749799  0.498737  1
  W  W21  1  0.583333  0.874564  0.499284  1
  W  W22  1  0.165855  -0.000978  0.501905  1
  W  W23  1  0.249508  0.124669  0.499295  1
  W  W24  1  0.332985  0.250007  0.498361  1
  W  W25  1  0.416472  0.375203  0.497919  1
  W  W26  1  0.499897  0.500153  0.497677  1
  W  W27  1  0.583333  0.625005  0.497803  1
  W  W28  1  0.667064  0.749799  0.498738  1
  W  W29  1  0.750671  0.874439  0.500721  1
  W  W30  1  0.332508  -0.000513  0.500969  1
  W  W31  1  0.416281  0.124618  0.499095  1
  W  W32  1  0.499832  0.249838  0.498184  1
  W  W33  1  0.583333  0.375039  0.497694  1
  W  W34  1  0.666770  0.500153  0.497677  1
  W  W35  1  0.750200  0.625135  0.498747  1
  W  W36  1  0.834707  0.749905  0.501621  1
  W  W37  1  0.918690  0.873958  0.506202  1
  W  W38  1  0.499689  -0.000545  0.499656  1
  W  W39  1  0.583333  0.124572  0.498807  1
  W  W40  1  0.666834  0.249837  0.498183  1
  W  W41  1  0.750194  0.375203  0.497919  1
  W  W42  1  0.833632  0.500582  0.498720  1
  W  W43  1  0.917316  0.626176  0.501748  1
  W  W44  1  0.666978  -0.000545  0.499657  1
  W  W45  1  0.750385  0.124618  0.499095  1
  W  W46  1  0.833682  0.250007  0.498361  1
  W  W47  1  0.916883  0.375472  0.498691  1
  W  W48  1  0.834159  -0.000514  0.500969  1
  W  W49  1  0.917159  0.124669  0.499296  1
  S  S50  1  0.163445  0.911607  0.395694  1
  S  S51  1  0.083333  0.544550  0.392307  1
  S  S52  1  0.163104  0.671686  0.395743  1
  S  S53  1  0.243206  0.791805  0.395669  1
  S  S54  1  0.330632  0.915243  0.392291  1
  S  S55  1  0.083333  0.292331  0.388130  1
  S  S56  1  0.166314  0.417984  0.388936  1
  S  S57  1  0.248908  0.543336  0.389665  1
  S  S58  1  0.331969  0.667350  0.389898  1
  S  S59  1  0.414781  0.791556  0.389589  1
  S  S60  1  0.499163  0.916032  0.389221  1
  S  S61  1  0.083333  0.040558  0.390287  1
  S  S62  1  0.166483  0.166436  0.388303  1
  S  S63  1  0.249655  0.292013  0.387842  1
  S  S64  1  0.332806  0.417257  0.387774  1
  S  S65  1  0.416087  0.542082  0.387524  1
  S  S66  1  0.499548  0.666845  0.387506  1
  S  S67  1  0.583333  0.791531  0.388188  1
  S  S68  1  0.667504  0.916032  0.389221  1
  S  S69  1  0.248926  0.040259  0.390030  1
  S  S70  1  0.332830  0.166126  0.388339  1
  S  S71  1  0.416340  0.291544  0.387606  1
  S  S72  1  0.499811  0.416730  0.387103  1
  S  S73  1  0.583333  0.541794  0.386884  1
  S  S74  1  0.667119  0.666845  0.387506  1
  S  S75  1  0.751885  0.791556  0.389589  1
  S  S76  1  0.836035  0.915243  0.392292  1
  S  S77  1  0.415745  0.040684  0.389346  1
  S  S78  1  0.499705  0.166024  0.388196  1
  S  S79  1  0.583333  0.291366  0.387517  1
  S  S80  1  0.666855  0.416730  0.387103  1
  S  S81  1  0.750580  0.542082  0.387525  1
  S  S82  1  0.834698  0.667350  0.389899  1
  S  S83  1  0.923460  0.791805  0.395669  1
  S  S84  1  0.003222  0.911607  0.395695  1
  S  S85  1  0.583333  0.040823  0.388808  1
  S  S86  1  0.666962  0.166024  0.388196  1
  S  S87  1  0.750326  0.291544  0.387606  1
  S  S88  1  0.833861  0.417256  0.387773  1
  S  S89  1  0.917759  0.543336  0.389666  1
  S  S90  1  0.003563  0.671686  0.395744  1
  S  S91  1  0.750922  0.040684  0.389346  1
  S  S92  1  0.833836  0.166126  0.388339  1
  S  S93  1  0.917012  0.292013  0.387842  1
  S  S94  1  0.000353  0.417984  0.388936  1
  S  S95  1  0.917740  0.040258  0.390030  1
  S  S96  1  0.000184  0.166435  0.388303  1
  S  S97  1  0.083334  0.791693  0.628066  1
  S  S98  1  0.166329  0.917844  0.618191  1
  S  S99  1  0.083333  0.541235  0.613028  1
  S  S100  1  0.168056  0.666353  0.618252  1
  S  S101  1  0.251106  0.790766  0.618124  1
  S  S102  1  0.333868  0.916710  0.612914  1
  S  S103  1  0.083333  0.291915  0.609465  1
  S  S104  1  0.166849  0.416795  0.610274  1
  S  S105  1  0.250599  0.541948  0.611035  1
  S  S106  1  0.334057  0.666367  0.611240  1
  S  S107  1  0.416872  0.790974  0.610887  1
  S  S108  1  0.500170  0.916179  0.610462  1
  S  S109  1  0.083333  0.042320  0.611570  1
  S  S110  1  0.166553  0.167050  0.609735  1
  S  S111  1  0.249895  0.291925  0.609105  1
  S  S112  1  0.333429  0.416926  0.608980  1
  S  S113  1  0.416911  0.541655  0.609057  1
  S  S114  1  0.500229  0.666405  0.609092  1
  S  S115  1  0.583333  0.791103  0.609433  1
  S  S116  1  0.666496  0.916179  0.610462  1
  S  S117  1  0.249476  0.041937  0.611293  1
  S  S118  1  0.333031  0.166787  0.609422  1
  S  S119  1  0.416510  0.291810  0.608596  1
  S  S120  1  0.500001  0.416780  0.608318  1
  S  S121  1  0.583333  0.541638  0.608351  1
  S  S122  1  0.666437  0.666405  0.609092  1
  S  S123  1  0.749795  0.790973  0.610887  1
  S  S124  1  0.832799  0.916710  0.612914  1
  S  S125  1  0.416585  0.041582  0.610477  1
  S  S126  1  0.499916  0.166586  0.609147  1
  S  S127  1  0.583333  0.291721  0.608469  1
  S  S128  1  0.666665  0.416780  0.608318  1
  S  S129  1  0.749755  0.541654  0.609057  1
  S  S130  1  0.832610  0.666368  0.611240  1
  S  S131  1  0.915561  0.790766  0.618124  1
  S  S132  1  0.000338  0.917844  0.618191  1
  S  S133  1  0.583333  0.041393  0.609846  1
  S  S134  1  0.666750  0.166586  0.609147  1
  S  S135  1  0.750157  0.291810  0.608596  1
  S  S136  1  0.833238  0.416926  0.608980  1
  S  S137  1  0.916068  0.541948  0.611035  1
  S  S138  1  -0.001389  0.666352  0.618253  1
  S  S139  1  0.750082  0.041582  0.610478  1
  S  S140  1  0.833636  0.166787  0.609422  1
  S  S141  1  0.916772  0.291925  0.609105  1
  S  S142  1  -0.000182  0.416795  0.610274  1
  S  S143  1  0.917191  0.041937  0.611294  1
  S  S144  1  0.000114  0.167050  0.609735  1
