# 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  0.791745  0.317314  1
  W  W2  1  0.001384  0.750693  0.511935  1
  W  W3  1  0.083333  0.873579  0.511969  1
  W  W4  1  0.000037  0.500272  0.500723  1
  W  W5  1  0.083333  0.625911  0.505400  1
  W  W6  1  0.165282  0.750693  0.511935  1
  W  W7  1  0.249143  0.874529  0.505147  1
  W  W8  1  0.000001  0.249839  0.498717  1
  W  W9  1  0.083333  0.375074  0.499276  1
  W  W10  1  0.166630  0.500272  0.500723  1
  W  W11  1  0.249393  0.625700  0.501756  1
  W  W12  1  0.332390  0.750131  0.501473  1
  W  W13  1  0.416431  0.874894  0.500335  1
  W  W14  1  0.000359  -0.000871  0.501743  1
  W  W15  1  0.083333  0.124624  0.499298  1
  W  W16  1  0.166665  0.249839  0.498717  1
  W  W17  1  0.249943  0.375067  0.498998  1
  W  W18  1  0.333090  0.500333  0.499107  1
  W  W19  1  0.416421  0.625199  0.498880  1
  W  W20  1  0.499716  0.750082  0.498529  1
  W  W21  1  0.583333  0.875005  0.498940  1
  W  W22  1  0.166308  -0.000871  0.501743  1
  W  W23  1  0.249851  0.124604  0.499157  1
  W  W24  1  0.333278  0.249907  0.498775  1
  W  W25  1  0.416590  0.375125  0.498698  1
  W  W26  1  0.499919  0.500162  0.498288  1
  W  W27  1  0.583333  0.625163  0.497989  1
  W  W28  1  0.666951  0.750082  0.498529  1
  W  W29  1  0.750235  0.874894  0.500335  1
  W  W30  1  0.333115  -0.000195  0.500576  1
  W  W31  1  0.416613  0.124896  0.499182  1
  W  W32  1  0.499974  0.250033  0.498956  1
  W  W33  1  0.583333  0.375100  0.498616  1
  W  W34  1  0.666748  0.500162  0.498288  1
  W  W35  1  0.750246  0.625199  0.498880  1
  W  W36  1  0.834277  0.750131  0.501473  1
  W  W37  1  0.917523  0.874529  0.505147  1
  W  W38  1  0.499911  -0.000081  0.499449  1
  W  W39  1  0.583333  0.124992  0.499212  1
  W  W40  1  0.666693  0.250033  0.498956  1
  W  W41  1  0.750077  0.375125  0.498698  1
  W  W42  1  0.833577  0.500333  0.499107  1
  W  W43  1  0.917274  0.625700  0.501756  1
  W  W44  1  0.666756  -0.000081  0.499449  1
  W  W45  1  0.750053  0.124896  0.499182  1
  W  W46  1  0.833389  0.249907  0.498775  1
  W  W47  1  0.916724  0.375067  0.498998  1
  W  W48  1  0.833552  -0.000195  0.500576  1
  W  W49  1  0.916816  0.124604  0.499157  1
  S  S50  1  0.163991  0.912389  0.394462  1
  S  S51  1  0.083333  0.543531  0.391908  1
  S  S52  1  0.163724  0.670750  0.394542  1
  S  S53  1  0.244385  0.791777  0.394344  1
  S  S54  1  0.331503  0.915779  0.391581  1
  S  S55  1  0.083333  0.291770  0.388174  1
  S  S56  1  0.166514  0.417355  0.388923  1
  S  S57  1  0.249074  0.542863  0.389761  1
  S  S58  1  0.331932  0.667309  0.389956  1
  S  S59  1  0.415048  0.791792  0.389283  1
  S  S60  1  0.499418  0.916556  0.388787  1
  S  S61  1  0.083333  0.040288  0.390182  1
  S  S62  1  0.166588  0.166147  0.388254  1
  S  S63  1  0.249972  0.291699  0.388086  1
  S  S64  1  0.333070  0.417002  0.388246  1
  S  S65  1  0.416162  0.541950  0.387968  1
  S  S66  1  0.499521  0.666872  0.387616  1
  S  S67  1  0.583333  0.791825  0.387906  1
  S  S68  1  0.667248  0.916556  0.388787  1
  S  S69  1  0.249264  0.040362  0.389693  1
  S  S70  1  0.333182  0.166285  0.388320  1
  S  S71  1  0.416636  0.291644  0.388135  1
  S  S72  1  0.499901  0.416683  0.387819  1
  S  S73  1  0.583333  0.541745  0.387427  1
  S  S74  1  0.667146  0.666872  0.387616  1
  S  S75  1  0.751619  0.791792  0.389283  1
  S  S76  1  0.835164  0.915779  0.391581  1
  S  S77  1  0.416172  0.041238  0.388994  1
  S  S78  1  0.499964  0.166545  0.388437  1
  S  S79  1  0.583333  0.291595  0.388159  1
  S  S80  1  0.666766  0.416683  0.387819  1
  S  S81  1  0.750505  0.541950  0.387968  1
  S  S82  1  0.834734  0.667309  0.389956  1
  S  S83  1  0.922282  0.791777  0.394344  1
  S  S84  1  0.002676  0.912389  0.394462  1
  S  S85  1  0.583333  0.041514  0.388709  1
  S  S86  1  0.666703  0.166545  0.388437  1
  S  S87  1  0.750030  0.291644  0.388135  1
  S  S88  1  0.833596  0.417002  0.388246  1
  S  S89  1  0.917592  0.542863  0.389761  1
  S  S90  1  0.002942  0.670750  0.394542  1
  S  S91  1  0.750495  0.041238  0.388994  1
  S  S92  1  0.833485  0.166285  0.388320  1
  S  S93  1  0.916694  0.291699  0.388086  1
  S  S94  1  0.000153  0.417355  0.388923  1
  S  S95  1  0.917402  0.040362  0.389693  1
  S  S96  1  0.000079  0.166147  0.388254  1
  S  S97  1  0.083333  0.791633  0.623153  1
  S  S98  1  0.167823  0.917806  0.617205  1
  S  S99  1  0.083333  0.540776  0.612785  1
  S  S100  1  0.167395  0.665277  0.617291  1
  S  S101  1  0.251874  0.791850  0.617056  1
  S  S102  1  0.334292  0.917036  0.612497  1
  S  S103  1  0.083333  0.291436  0.609458  1
  S  S104  1  0.166792  0.416298  0.610312  1
  S  S105  1  0.250432  0.541606  0.611095  1
  S  S106  1  0.333862  0.666516  0.611064  1
  S  S107  1  0.417108  0.791375  0.610589  1
  S  S108  1  0.500351  0.916597  0.610206  1
  S  S109  1  0.083333  0.041943  0.611297  1
  S  S110  1  0.166656  0.166604  0.609650  1
  S  S111  1  0.249985  0.291549  0.609449  1
  S  S112  1  0.333383  0.416778  0.609563  1
  S  S113  1  0.416844  0.541785  0.609389  1
  S  S114  1  0.500177  0.666701  0.609028  1
  S  S115  1  0.583333  0.791480  0.609142  1
  S  S116  1  0.666316  0.916597  0.610206  1
  S  S117  1  0.249932  0.041915  0.611027  1
  S  S118  1  0.333211  0.166637  0.609644  1
  S  S119  1  0.416578  0.291763  0.609496  1
  S  S120  1  0.500004  0.416890  0.609213  1
  S  S121  1  0.583333  0.541890  0.608805  1
  S  S122  1  0.666490  0.666701  0.609028  1
  S  S123  1  0.749558  0.791375  0.610589  1
  S  S124  1  0.832375  0.917036  0.612497  1
  S  S125  1  0.416878  0.041860  0.610416  1
  S  S126  1  0.499961  0.166776  0.609821  1
  S  S127  1  0.583333  0.291847  0.609569  1
  S  S128  1  0.666663  0.416890  0.609213  1
  S  S129  1  0.749823  0.541785  0.609389  1
  S  S130  1  0.832805  0.666516  0.611064  1
  S  S131  1  0.914793  0.791850  0.617056  1
  S  S132  1  -0.001156  0.917806  0.617205  1
  S  S133  1  0.583333  0.041698  0.610031  1
  S  S134  1  0.666706  0.166776  0.609821  1
  S  S135  1  0.750089  0.291763  0.609496  1
  S  S136  1  0.833284  0.416778  0.609563  1
  S  S137  1  0.916235  0.541606  0.611095  1
  S  S138  1  -0.000729  0.665277  0.617291  1
  S  S139  1  0.749788  0.041860  0.610416  1
  S  S140  1  0.833455  0.166637  0.609644  1
  S  S141  1  0.916681  0.291549  0.609449  1
  S  S142  1  -0.000125  0.416298  0.610312  1
  S  S143  1  0.916735  0.041915  0.611027  1
  S  S144  1  0.000010  0.166604  0.609650  1
