# generated using pymatgen
data_HgW48S95
_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   HgW48S95
_chemical_formula_sum   'Hg1 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
  Hg  Hg1  1  0.083333  0.791688  0.340969  1
  W  W2  1  -0.000749  0.749686  0.502160  1
  W  W3  1  0.083333  0.875787  0.502114  1
  W  W4  1  -0.000148  0.500727  0.500478  1
  W  W5  1  0.083333  0.627202  0.501186  1
  W  W6  1  0.167415  0.749686  0.502160  1
  W  W7  1  0.247986  0.873961  0.501204  1
  W  W8  1  0.000046  0.250452  0.500070  1
  W  W9  1  0.083333  0.375718  0.500321  1
  W  W10  1  0.166815  0.500727  0.500478  1
  W  W11  1  0.250331  0.625171  0.500050  1
  W  W12  1  0.333476  0.749698  0.500077  1
  W  W13  1  0.416395  0.874472  0.500455  1
  W  W14  1  0.000240  0.000279  0.500044  1
  W  W15  1  0.083333  0.125483  0.500140  1
  W  W16  1  0.166620  0.250452  0.500071  1
  W  W17  1  0.249920  0.375462  0.500154  1
  W  W18  1  0.333387  0.500282  0.500196  1
  W  W19  1  0.416947  0.624837  0.500160  1
  W  W20  1  0.499912  0.749683  0.500225  1
  W  W21  1  0.583333  0.874566  0.500315  1
  W  W22  1  0.166426  0.000279  0.500044  1
  W  W23  1  0.249714  0.125064  0.500189  1
  W  W24  1  0.333138  0.250117  0.499988  1
  W  W25  1  0.416629  0.375058  0.500016  1
  W  W26  1  0.500034  0.499942  0.500068  1
  W  W27  1  0.583333  0.624847  0.500117  1
  W  W28  1  0.666754  0.749683  0.500224  1
  W  W29  1  0.750272  0.874472  0.500455  1
  W  W30  1  0.332781  -0.000238  0.500469  1
  W  W31  1  0.416406  0.124671  0.500130  1
  W  W32  1  0.499888  0.249758  0.499939  1
  W  W33  1  0.583333  0.374885  0.499979  1
  W  W34  1  0.666633  0.499942  0.500068  1
  W  W35  1  0.749720  0.624837  0.500160  1
  W  W36  1  0.833190  0.749698  0.500077  1
  W  W37  1  0.918680  0.873961  0.501204  1
  W  W38  1  0.499760  -0.000526  0.500311  1
  W  W39  1  0.583333  0.124543  0.499989  1
  W  W40  1  0.666779  0.249758  0.499939  1
  W  W41  1  0.750037  0.375058  0.500016  1
  W  W42  1  0.833279  0.500282  0.500196  1
  W  W43  1  0.916336  0.625171  0.500050  1
  W  W44  1  0.666906  -0.000526  0.500311  1
  W  W45  1  0.750260  0.124671  0.500130  1
  W  W46  1  0.833528  0.250117  0.499988  1
  W  W47  1  0.916746  0.375462  0.500154  1
  W  W48  1  0.833886  -0.000238  0.500469  1
  W  W49  1  0.916953  0.125064  0.500189  1
  S  S50  1  0.166483  0.916421  0.389986  1
  S  S51  1  0.083333  0.543122  0.390464  1
  S  S52  1  0.166503  0.667070  0.389956  1
  S  S53  1  0.249646  0.791650  0.389987  1
  S  S54  1  0.332159  0.915926  0.390504  1
  S  S55  1  0.083333  0.292351  0.389489  1
  S  S56  1  0.166555  0.417444  0.389621  1
  S  S57  1  0.250036  0.541813  0.389411  1
  S  S58  1  0.333904  0.666421  0.389326  1
  S  S59  1  0.416785  0.791512  0.389383  1
  S  S60  1  0.499721  0.916184  0.389636  1
  S  S61  1  0.083333  0.042343  0.389375  1
  S  S62  1  0.166619  0.167045  0.389379  1
  S  S63  1  0.249888  0.292092  0.389356  1
  S  S64  1  0.333294  0.416943  0.389453  1
  S  S65  1  0.416761  0.541632  0.389306  1
  S  S66  1  0.500106  0.666503  0.389266  1
  S  S67  1  0.583333  0.791339  0.389531  1
  S  S68  1  0.666945  0.916184  0.389636  1
  S  S69  1  0.249989  0.041718  0.389470  1
  S  S70  1  0.333127  0.166586  0.389502  1
  S  S71  1  0.416554  0.291639  0.389361  1
  S  S72  1  0.499987  0.416620  0.389324  1
  S  S73  1  0.583333  0.541590  0.389278  1
  S  S74  1  0.666560  0.666503  0.389266  1
  S  S75  1  0.749882  0.791512  0.389383  1
  S  S76  1  0.834508  0.915926  0.390504  1
  S  S77  1  0.416309  0.041103  0.389670  1
  S  S78  1  0.499830  0.166222  0.389440  1
  S  S79  1  0.583333  0.291434  0.389402  1
  S  S80  1  0.666680  0.416620  0.389324  1
  S  S81  1  0.749906  0.541632  0.389306  1
  S  S82  1  0.832763  0.666421  0.389326  1
  S  S83  1  0.917021  0.791650  0.389987  1
  S  S84  1  0.000183  0.916421  0.389986  1
  S  S85  1  0.583333  0.040991  0.389621  1
  S  S86  1  0.666836  0.166222  0.389440  1
  S  S87  1  0.750113  0.291639  0.389361  1
  S  S88  1  0.833372  0.416943  0.389453  1
  S  S89  1  0.916631  0.541813  0.389411  1
  S  S90  1  0.000163  0.667070  0.389956  1
  S  S91  1  0.750358  0.041103  0.389670  1
  S  S92  1  0.833539  0.166586  0.389502  1
  S  S93  1  0.916778  0.292092  0.389356  1
  S  S94  1  0.000111  0.417444  0.389621  1
  S  S95  1  0.916678  0.041718  0.389470  1
  S  S96  1  0.000048  0.167045  0.389379  1
  S  S97  1  0.083333  0.791728  0.609428  1
  S  S98  1  0.165384  0.917164  0.612653  1
  S  S99  1  0.083333  0.542751  0.610867  1
  S  S100  1  0.167772  0.667508  0.612691  1
  S  S101  1  0.249824  0.790475  0.612679  1
  S  S102  1  0.332550  0.916117  0.610818  1
  S  S103  1  0.083333  0.292198  0.610787  1
  S  S104  1  0.166708  0.417264  0.611050  1
  S  S105  1  0.250228  0.542049  0.611231  1
  S  S106  1  0.333580  0.666569  0.611028  1
  S  S107  1  0.416621  0.791271  0.611226  1
  S  S108  1  0.499857  0.916189  0.611105  1
  S  S109  1  0.083333  0.042026  0.610963  1
  S  S110  1  0.166595  0.167093  0.610906  1
  S  S111  1  0.249948  0.292021  0.610735  1
  S  S112  1  0.333389  0.416865  0.610802  1
  S  S113  1  0.416844  0.541628  0.611004  1
  S  S114  1  0.500117  0.666445  0.611082  1
  S  S115  1  0.583333  0.791272  0.611022  1
  S  S116  1  0.666810  0.916190  0.611105  1
  S  S117  1  0.249664  0.041746  0.611151  1
  S  S118  1  0.333168  0.166701  0.610699  1
  S  S119  1  0.416596  0.291609  0.610540  1
  S  S120  1  0.500016  0.416571  0.610672  1
  S  S121  1  0.583333  0.541538  0.610854  1
  S  S122  1  0.666549  0.666445  0.611082  1
  S  S123  1  0.750045  0.791271  0.611226  1
  S  S124  1  0.834116  0.916117  0.610818  1
  S  S125  1  0.416396  0.041302  0.610968  1
  S  S126  1  0.499928  0.166321  0.610535  1
  S  S127  1  0.583333  0.291418  0.610444  1
  S  S128  1  0.666650  0.416571  0.610672  1
  S  S129  1  0.749823  0.541628  0.611004  1
  S  S130  1  0.833087  0.666569  0.611028  1
  S  S131  1  0.916843  0.790475  0.612679  1
  S  S132  1  0.001283  0.917164  0.612653  1
  S  S133  1  0.583333  0.041201  0.610760  1
  S  S134  1  0.666739  0.166321  0.610535  1
  S  S135  1  0.750070  0.291609  0.610540  1
  S  S136  1  0.833278  0.416865  0.610802  1
  S  S137  1  0.916438  0.542049  0.611231  1
  S  S138  1  -0.001105  0.667508  0.612692  1
  S  S139  1  0.750271  0.041302  0.610968  1
  S  S140  1  0.833499  0.166701  0.610699  1
  S  S141  1  0.916719  0.292021  0.610735  1
  S  S142  1  -0.000042  0.417264  0.611050  1
  S  S143  1  0.917003  0.041746  0.611151  1
  S  S144  1  0.000071  0.167093  0.610906  1
