# generated using pymatgen
data_TeW47S96
_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   TeW47S96
_chemical_formula_sum   'Te1 W47 S96'
_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
  Te  Te1  1  -0.000083  0.745375  0.499998  1
  W  W2  1  0.089522  0.879036  0.499998  1
  W  W3  1  0.000001  0.497039  0.499998  1
  W  W4  1  0.085314  0.619609  0.499999  1
  W  W5  1  0.172151  0.750959  0.499999  1
  W  W6  1  0.252480  0.876616  0.499997  1
  W  W7  1  -0.000001  0.249561  0.499997  1
  W  W8  1  0.083698  0.373598  0.499997  1
  W  W9  1  0.167750  0.497704  0.499998  1
  W  W10  1  0.250452  0.624404  0.499999  1
  W  W11  1  0.335237  0.750310  0.499997  1
  W  W12  1  0.417563  0.875600  0.499995  1
  W  W13  1  -0.000001  0.000410  0.499999  1
  W  W14  1  0.083614  0.125367  0.499996  1
  W  W15  1  0.166952  0.249736  0.499996  1
  W  W16  1  0.250594  0.374114  0.499998  1
  W  W17  1  0.333713  0.499546  0.499998  1
  W  W18  1  0.417005  0.624752  0.499998  1
  W  W19  1  0.500001  0.749976  0.499997  1
  W  W20  1  0.582438  0.875599  0.499994  1
  W  W21  1  0.168292  0.002149  0.499998  1
  W  W22  1  0.250715  0.125982  0.499996  1
  W  W23  1  0.333801  0.250215  0.499996  1
  W  W24  1  0.416890  0.374975  0.499998  1
  W  W25  1  0.500000  0.499699  0.499997  1
  W  W26  1  0.582997  0.624750  0.499998  1
  W  W27  1  0.664764  0.750312  0.499996  1
  W  W28  1  0.747520  0.876617  0.499996  1
  W  W29  1  0.334428  0.001210  0.499996  1
  W  W30  1  0.417001  0.125713  0.499995  1
  W  W31  1  0.500000  0.250325  0.499999  1
  W  W32  1  0.583111  0.374973  0.499999  1
  W  W33  1  0.666286  0.499548  0.500000  1
  W  W34  1  0.749542  0.624402  0.500000  1
  W  W35  1  0.827871  0.750933  0.499998  1
  W  W36  1  0.910482  0.879041  0.499998  1
  W  W37  1  0.500000  0.000762  0.499993  1
  W  W38  1  0.582999  0.125713  0.499996  1
  W  W39  1  0.666199  0.250216  0.499998  1
  W  W40  1  0.749406  0.374114  0.500000  1
  W  W41  1  0.832253  0.497703  0.500000  1
  W  W42  1  0.914677  0.619639  0.499999  1
  W  W43  1  0.665572  0.001209  0.499996  1
  W  W44  1  0.749284  0.125982  0.499997  1
  W  W45  1  0.833048  0.249734  0.499997  1
  W  W46  1  0.916301  0.373600  0.499998  1
  W  W47  1  0.831709  0.002149  0.499998  1
  W  W48  1  0.916387  0.125367  0.499997  1
  S  S49  1  0.092187  0.797379  0.388794  1
  S  S50  1  0.170936  0.920153  0.388210  1
  S  S51  1  0.084449  0.537318  0.388709  1
  S  S52  1  0.167192  0.666517  0.390154  1
  S  S53  1  0.253832  0.792962  0.388672  1
  S  S54  1  0.335138  0.917933  0.388936  1
  S  S55  1  0.083477  0.290775  0.388968  1
  S  S56  1  0.167326  0.414897  0.388944  1
  S  S57  1  0.250514  0.540870  0.389222  1
  S  S58  1  0.333849  0.666415  0.389378  1
  S  S59  1  0.417706  0.792105  0.388915  1
  S  S60  1  0.500001  0.917498  0.388884  1
  S  S61  1  0.083497  0.042324  0.389265  1
  S  S62  1  0.166965  0.166842  0.388993  1
  S  S63  1  0.250386  0.291176  0.388984  1
  S  S64  1  0.333628  0.416314  0.389111  1
  S  S65  1  0.416878  0.541413  0.389178  1
  S  S66  1  0.500001  0.666469  0.389085  1
  S  S67  1  0.582295  0.792105  0.388914  1
  S  S68  1  0.664862  0.917933  0.388936  1
  S  S69  1  0.251395  0.043252  0.388934  1
  S  S70  1  0.333903  0.167307  0.388935  1
  S  S71  1  0.416903  0.291897  0.389008  1
  S  S72  1  0.500000  0.416570  0.389008  1
  S  S73  1  0.583122  0.541413  0.389176  1
  S  S74  1  0.666151  0.666418  0.389377  1
  S  S75  1  0.746180  0.792957  0.388679  1
  S  S76  1  0.829063  0.920153  0.388211  1
  S  S77  1  0.417239  0.042642  0.388904  1
  S  S78  1  0.500000  0.167282  0.388944  1
  S  S79  1  0.583096  0.291897  0.389007  1
  S  S80  1  0.666372  0.416315  0.389111  1
  S  S81  1  0.749488  0.540869  0.389221  1
  S  S82  1  0.832800  0.666509  0.390142  1
  S  S83  1  0.907816  0.797393  0.388773  1
  S  S84  1  0.000003  0.916297  0.391237  1
  S  S85  1  0.582761  0.042641  0.388904  1
  S  S86  1  0.666097  0.167308  0.388935  1
  S  S87  1  0.749615  0.291176  0.388984  1
  S  S88  1  0.832674  0.414897  0.388942  1
  S  S89  1  0.915553  0.537330  0.388714  1
  S  S90  1  0.000016  0.655762  0.387231  1
  S  S91  1  0.748606  0.043251  0.388934  1
  S  S92  1  0.833035  0.166841  0.388993  1
  S  S93  1  0.916522  0.290775  0.388968  1
  S  S94  1  -0.000000  0.414389  0.388947  1
  S  S95  1  0.916503  0.042325  0.389264  1
  S  S96  1  0.000000  0.166583  0.389150  1
  S  S97  1  0.092187  0.797379  0.611208  1
  S  S98  1  0.170936  0.920153  0.611794  1
  S  S99  1  0.084448  0.537318  0.611294  1
  S  S100  1  0.167191  0.666517  0.609849  1
  S  S101  1  0.253832  0.792963  0.611328  1
  S  S102  1  0.335137  0.917933  0.611067  1
  S  S103  1  0.083477  0.290775  0.611037  1
  S  S104  1  0.167327  0.414897  0.611061  1
  S  S105  1  0.250514  0.540870  0.610781  1
  S  S106  1  0.333848  0.666416  0.610624  1
  S  S107  1  0.417706  0.792104  0.611089  1
  S  S108  1  0.500001  0.917498  0.611120  1
  S  S109  1  0.083496  0.042324  0.610737  1
  S  S110  1  0.166966  0.166843  0.611009  1
  S  S111  1  0.250387  0.291175  0.611020  1
  S  S112  1  0.333629  0.416314  0.610892  1
  S  S113  1  0.416878  0.541413  0.610822  1
  S  S114  1  0.500001  0.666469  0.610918  1
  S  S115  1  0.582295  0.792103  0.611091  1
  S  S116  1  0.664863  0.917933  0.611068  1
  S  S117  1  0.251394  0.043252  0.611071  1
  S  S118  1  0.333903  0.167307  0.611069  1
  S  S119  1  0.416904  0.291897  0.610995  1
  S  S120  1  0.500001  0.416570  0.610994  1
  S  S121  1  0.583122  0.541413  0.610823  1
  S  S122  1  0.666151  0.666417  0.610624  1
  S  S123  1  0.746180  0.792957  0.611320  1
  S  S124  1  0.829063  0.920153  0.611792  1
  S  S125  1  0.417239  0.042643  0.611101  1
  S  S126  1  0.500000  0.167281  0.611058  1
  S  S127  1  0.583096  0.291897  0.610995  1
  S  S128  1  0.666371  0.416315  0.610890  1
  S  S129  1  0.749487  0.540869  0.610780  1
  S  S130  1  0.832800  0.666509  0.609859  1
  S  S131  1  0.907816  0.797392  0.611228  1
  S  S132  1  0.000003  0.916296  0.608763  1
  S  S133  1  0.582761  0.042642  0.611101  1
  S  S134  1  0.666097  0.167308  0.611068  1
  S  S135  1  0.749614  0.291176  0.611019  1
  S  S136  1  0.832674  0.414898  0.611061  1
  S  S137  1  0.915553  0.537330  0.611287  1
  S  S138  1  0.000016  0.655762  0.612769  1
  S  S139  1  0.748607  0.043252  0.611070  1
  S  S140  1  0.833034  0.166842  0.611009  1
  S  S141  1  0.916522  0.290776  0.611036  1
  S  S142  1  -0.000000  0.414390  0.611057  1
  S  S143  1  0.916504  0.042324  0.610738  1
  S  S144  1  0.000000  0.166583  0.610854  1
