# generated using pymatgen
data_SbW48S95
_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   SbW48S95
_chemical_formula_sum   'Sb1 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
  Sb  Sb1  1  0.083333  0.792996  0.350819  1
  W  W2  1  0.001253  0.748495  0.500823  1
  W  W3  1  0.083334  0.876134  0.498985  1
  W  W4  1  -0.000127  0.499559  0.500711  1
  W  W5  1  0.083333  0.624868  0.501094  1
  W  W6  1  0.165414  0.748495  0.500824  1
  W  W7  1  0.249403  0.875653  0.499979  1
  W  W8  1  -0.000034  0.250093  0.500207  1
  W  W9  1  0.083333  0.374884  0.500277  1
  W  W10  1  0.166793  0.499559  0.500711  1
  W  W11  1  0.249985  0.624501  0.500923  1
  W  W12  1  0.333108  0.749963  0.500240  1
  W  W13  1  0.416563  0.874967  0.500111  1
  W  W14  1  -0.000083  0.000714  0.501020  1
  W  W15  1  0.083333  0.125413  0.500735  1
  W  W16  1  0.166700  0.250093  0.500207  1
  W  W17  1  0.250060  0.374875  0.500153  1
  W  W18  1  0.333473  0.499811  0.500355  1
  W  W19  1  0.416678  0.624889  0.500339  1
  W  W20  1  0.499898  0.750022  0.500163  1
  W  W21  1  0.583333  0.874979  0.500188  1
  W  W22  1  0.166751  0.000714  0.501020  1
  W  W23  1  0.250156  0.125290  0.500529  1
  W  W24  1  0.333432  0.250070  0.500011  1
  W  W25  1  0.416754  0.374927  0.499935  1
  W  W26  1  0.500019  0.499980  0.500075  1
  W  W27  1  0.583333  0.625052  0.500166  1
  W  W28  1  0.666769  0.750022  0.500162  1
  W  W29  1  0.750104  0.874966  0.500110  1
  W  W30  1  0.333456  0.000165  0.500447  1
  W  W31  1  0.416747  0.125033  0.500129  1
  W  W32  1  0.500025  0.249992  0.499821  1
  W  W33  1  0.583333  0.375018  0.499844  1
  W  W34  1  0.666647  0.499980  0.500075  1
  W  W35  1  0.749988  0.624888  0.500339  1
  W  W36  1  0.833558  0.749962  0.500240  1
  W  W37  1  0.917264  0.875653  0.499979  1
  W  W38  1  0.500014  -0.000004  0.500140  1
  W  W39  1  0.583333  0.125000  0.499926  1
  W  W40  1  0.666642  0.249991  0.499821  1
  W  W41  1  0.749912  0.374927  0.499935  1
  W  W42  1  0.833193  0.499811  0.500355  1
  W  W43  1  0.916681  0.624501  0.500924  1
  W  W44  1  0.666653  -0.000004  0.500139  1
  W  W45  1  0.749920  0.125033  0.500129  1
  W  W46  1  0.833234  0.250070  0.500011  1
  W  W47  1  0.916606  0.374875  0.500154  1
  W  W48  1  0.833211  0.000165  0.500446  1
  W  W49  1  0.916511  0.125289  0.500528  1
  S  S50  1  0.166937  0.917987  0.389091  1
  S  S51  1  0.083333  0.541410  0.390321  1
  S  S52  1  0.166367  0.665570  0.389799  1
  S  S53  1  0.248733  0.791642  0.390278  1
  S  S54  1  0.333263  0.916846  0.389539  1
  S  S55  1  0.083333  0.291676  0.389374  1
  S  S56  1  0.166656  0.416528  0.389534  1
  S  S57  1  0.249966  0.541314  0.389922  1
  S  S58  1  0.333112  0.666474  0.389865  1
  S  S59  1  0.416419  0.791624  0.389413  1
  S  S60  1  0.499975  0.916621  0.389435  1
  S  S61  1  0.083334  0.042227  0.390200  1
  S  S62  1  0.166699  0.166758  0.389704  1
  S  S63  1  0.249995  0.291641  0.389280  1
  S  S64  1  0.333356  0.416608  0.389357  1
  S  S65  1  0.416627  0.541644  0.389456  1
  S  S66  1  0.499906  0.666661  0.389511  1
  S  S67  1  0.583333  0.791649  0.389457  1
  S  S68  1  0.666692  0.916620  0.389434  1
  S  S69  1  0.250094  0.041990  0.389949  1
  S  S70  1  0.333373  0.166700  0.389427  1
  S  S71  1  0.416685  0.291655  0.389094  1
  S  S72  1  0.499993  0.416717  0.389159  1
  S  S73  1  0.583333  0.541747  0.389353  1
  S  S74  1  0.666760  0.666661  0.389510  1
  S  S75  1  0.750248  0.791623  0.389412  1
  S  S76  1  0.833404  0.916846  0.389539  1
  S  S77  1  0.416674  0.041660  0.389444  1
  S  S78  1  0.499977  0.166603  0.389167  1
  S  S79  1  0.583333  0.291678  0.389067  1
  S  S80  1  0.666673  0.416717  0.389160  1
  S  S81  1  0.750039  0.541644  0.389456  1
  S  S82  1  0.833555  0.666473  0.389865  1
  S  S83  1  0.917933  0.791641  0.390277  1
  S  S84  1  -0.000270  0.917986  0.389091  1
  S  S85  1  0.583333  0.041588  0.389301  1
  S  S86  1  0.666689  0.166603  0.389166  1
  S  S87  1  0.749981  0.291654  0.389094  1
  S  S88  1  0.833311  0.416608  0.389358  1
  S  S89  1  0.916701  0.541313  0.389922  1
  S  S90  1  0.000298  0.665570  0.389798  1
  S  S91  1  0.749993  0.041660  0.389443  1
  S  S92  1  0.833293  0.166700  0.389426  1
  S  S93  1  0.916671  0.291641  0.389280  1
  S  S94  1  0.000010  0.416528  0.389534  1
  S  S95  1  0.916573  0.041990  0.389949  1
  S  S96  1  -0.000033  0.166757  0.389704  1
  S  S97  1  0.083333  0.792241  0.608642  1
  S  S98  1  0.166849  0.917024  0.611098  1
  S  S99  1  0.083333  0.541164  0.611500  1
  S  S100  1  0.166949  0.666106  0.612274  1
  S  S101  1  0.249222  0.791623  0.610546  1
  S  S102  1  0.333151  0.916585  0.610783  1
  S  S103  1  0.083333  0.291638  0.610988  1
  S  S104  1  0.166761  0.416251  0.611216  1
  S  S105  1  0.250225  0.541120  0.611497  1
  S  S106  1  0.333410  0.666691  0.611084  1
  S  S107  1  0.416424  0.791656  0.610893  1
  S  S108  1  0.499926  0.916622  0.610860  1
  S  S109  1  0.083333  0.042249  0.611763  1
  S  S110  1  0.166828  0.166997  0.611304  1
  S  S111  1  0.250123  0.291632  0.610880  1
  S  S112  1  0.333496  0.416421  0.610893  1
  S  S113  1  0.416821  0.541562  0.611049  1
  S  S114  1  0.499989  0.666694  0.610963  1
  S  S115  1  0.583334  0.791635  0.610906  1
  S  S116  1  0.666742  0.916622  0.610859  1
  S  S117  1  0.250371  0.042043  0.611463  1
  S  S118  1  0.333615  0.166900  0.611007  1
  S  S119  1  0.416807  0.291651  0.610693  1
  S  S120  1  0.500058  0.416598  0.610697  1
  S  S121  1  0.583333  0.541662  0.610820  1
  S  S122  1  0.666677  0.666694  0.610962  1
  S  S123  1  0.750242  0.791655  0.610892  1
  S  S124  1  0.833516  0.916585  0.610782  1
  S  S125  1  0.416854  0.041740  0.611034  1
  S  S126  1  0.500107  0.166730  0.610703  1
  S  S127  1  0.583333  0.291670  0.610542  1
  S  S128  1  0.666608  0.416597  0.610697  1
  S  S129  1  0.749845  0.541561  0.611049  1
  S  S130  1  0.833256  0.666691  0.611084  1
  S  S131  1  0.917445  0.791623  0.610545  1
  S  S132  1  -0.000182  0.917023  0.611097  1
  S  S133  1  0.583334  0.041709  0.610803  1
  S  S134  1  0.666560  0.166730  0.610703  1
  S  S135  1  0.749859  0.291650  0.610693  1
  S  S136  1  0.833170  0.416421  0.610894  1
  S  S137  1  0.916442  0.541119  0.611497  1
  S  S138  1  -0.000282  0.666106  0.612274  1
  S  S139  1  0.749813  0.041740  0.611033  1
  S  S140  1  0.833052  0.166900  0.611007  1
  S  S141  1  0.916544  0.291632  0.610880  1
  S  S142  1  -0.000094  0.416251  0.611217  1
  S  S143  1  0.916296  0.042043  0.611462  1
  S  S144  1  -0.000161  0.166997  0.611304  1
