# generated using pymatgen
data_W48S95Cl
_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   W48S95Cl
_chemical_formula_sum   'W48 S95 Cl1'
_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
  W  W1  1  -0.001234  0.749412  0.499360  1
  W  W2  1  0.083333  0.876228  0.499335  1
  W  W3  1  -0.000032  0.500462  0.500313  1
  W  W4  1  0.083333  0.625873  0.500189  1
  W  W5  1  0.167900  0.749412  0.499360  1
  W  W6  1  0.249174  0.874600  0.500167  1
  W  W7  1  0.000048  0.250139  0.500049  1
  W  W8  1  0.083333  0.375274  0.500131  1
  W  W9  1  0.166698  0.500462  0.500313  1
  W  W10  1  0.250175  0.625110  0.499876  1
  W  W11  1  0.333349  0.749854  0.499882  1
  W  W12  1  0.416297  0.874777  0.500312  1
  W  W13  1  0.000156  0.000113  0.499863  1
  W  W14  1  0.083333  0.125111  0.500033  1
  W  W15  1  0.166619  0.250139  0.500049  1
  W  W16  1  0.249981  0.375214  0.500073  1
  W  W17  1  0.333356  0.500132  0.500138  1
  W  W18  1  0.416732  0.625008  0.500040  1
  W  W19  1  0.499941  0.749934  0.500179  1
  W  W20  1  0.583333  0.874850  0.500138  1
  W  W21  1  0.166511  0.000113  0.499863  1
  W  W22  1  0.249878  0.125015  0.500139  1
  W  W23  1  0.333250  0.250030  0.500035  1
  W  W24  1  0.416633  0.375058  0.500029  1
  W  W25  1  0.500032  0.500034  0.500044  1
  W  W26  1  0.583333  0.624973  0.500076  1
  W  W27  1  0.666726  0.749934  0.500179  1
  W  W28  1  0.750370  0.874777  0.500312  1
  W  W29  1  0.332886  -0.000175  0.500304  1
  W  W30  1  0.416466  0.124908  0.500064  1
  W  W31  1  0.499992  0.249949  0.499990  1
  W  W32  1  0.583333  0.374962  0.500002  1
  W  W33  1  0.666635  0.500034  0.500044  1
  W  W34  1  0.749934  0.625008  0.500040  1
  W  W35  1  0.833318  0.749854  0.499882  1
  W  W36  1  0.917493  0.874600  0.500167  1
  W  W37  1  0.499822  -0.000147  0.500125  1
  W  W38  1  0.583333  0.124888  0.500006  1
  W  W39  1  0.666675  0.249949  0.499990  1
  W  W40  1  0.750033  0.375058  0.500029  1
  W  W41  1  0.833311  0.500132  0.500138  1
  W  W42  1  0.916492  0.625110  0.499876  1
  W  W43  1  0.666845  -0.000147  0.500125  1
  W  W44  1  0.750201  0.124908  0.500064  1
  W  W45  1  0.833417  0.250030  0.500035  1
  W  W46  1  0.916685  0.375214  0.500073  1
  W  W47  1  0.833780  -0.000175  0.500304  1
  W  W48  1  0.916788  0.125015  0.500139  1
  S  S49  1  0.166886  0.917118  0.388769  1
  S  S50  1  0.083333  0.542223  0.389707  1
  S  S51  1  0.167037  0.666279  0.388787  1
  S  S52  1  0.250582  0.791588  0.388770  1
  S  S53  1  0.332800  0.916386  0.389669  1
  S  S54  1  0.083333  0.291849  0.389355  1
  S  S55  1  0.166626  0.417086  0.389559  1
  S  S56  1  0.250073  0.541754  0.389382  1
  S  S57  1  0.333567  0.666565  0.389036  1
  S  S58  1  0.416645  0.791563  0.389372  1
  S  S59  1  0.499695  0.916406  0.389624  1
  S  S60  1  0.083333  0.041894  0.389051  1
  S  S61  1  0.166651  0.166727  0.389325  1
  S  S62  1  0.249947  0.291794  0.389354  1
  S  S63  1  0.333326  0.416776  0.389366  1
  S  S64  1  0.416686  0.541672  0.389331  1
  S  S65  1  0.500027  0.666654  0.389320  1
  S  S66  1  0.583333  0.791532  0.389445  1
  S  S67  1  0.666972  0.916406  0.389624  1
  S  S68  1  0.249880  0.041690  0.389367  1
  S  S69  1  0.333181  0.166618  0.389351  1
  S  S70  1  0.416624  0.291635  0.389333  1
  S  S71  1  0.500002  0.416646  0.389331  1
  S  S72  1  0.583333  0.541660  0.389297  1
  S  S73  1  0.666640  0.666654  0.389320  1
  S  S74  1  0.750022  0.791563  0.389372  1
  S  S75  1  0.833867  0.916386  0.389669  1
  S  S76  1  0.416267  0.041402  0.389577  1
  S  S77  1  0.499883  0.166511  0.389369  1
  S  S78  1  0.583333  0.291578  0.389287  1
  S  S79  1  0.666665  0.416646  0.389331  1
  S  S80  1  0.749981  0.541672  0.389331  1
  S  S81  1  0.833100  0.666565  0.389036  1
  S  S82  1  0.916085  0.791588  0.388770  1
  S  S83  1  -0.000220  0.917118  0.388769  1
  S  S84  1  0.583333  0.041447  0.389496  1
  S  S85  1  0.666783  0.166511  0.389369  1
  S  S86  1  0.750043  0.291635  0.389333  1
  S  S87  1  0.833341  0.416776  0.389366  1
  S  S88  1  0.916593  0.541754  0.389383  1
  S  S89  1  -0.000370  0.666279  0.388787  1
  S  S90  1  0.750400  0.041402  0.389577  1
  S  S91  1  0.833485  0.166618  0.389351  1
  S  S92  1  0.916720  0.291794  0.389354  1
  S  S93  1  0.000041  0.417086  0.389559  1
  S  S94  1  0.916786  0.041690  0.389367  1
  S  S95  1  0.000016  0.166727  0.389325  1
  S  S96  1  0.083333  0.791652  0.607295  1
  S  S97  1  0.165771  0.916636  0.610960  1
  S  S98  1  0.083333  0.542375  0.610959  1
  S  S99  1  0.167116  0.667348  0.610993  1
  S  S100  1  0.249550  0.790990  0.610999  1
  S  S101  1  0.332641  0.916297  0.610956  1
  S  S102  1  0.083333  0.291810  0.610738  1
  S  S103  1  0.166651  0.416957  0.610806  1
  S  S104  1  0.250138  0.541996  0.610993  1
  S  S105  1  0.333377  0.666652  0.610950  1
  S  S106  1  0.416428  0.791400  0.611013  1
  S  S107  1  0.499797  0.916463  0.610749  1
  S  S108  1  0.083333  0.041704  0.610903  1
  S  S109  1  0.166600  0.166741  0.610814  1
  S  S110  1  0.249964  0.291772  0.610713  1
  S  S111  1  0.333346  0.416736  0.610780  1
  S  S112  1  0.416731  0.541699  0.610813  1
  S  S113  1  0.500009  0.666600  0.610851  1
  S  S114  1  0.583333  0.791552  0.610840  1
  S  S115  1  0.666869  0.916463  0.610749  1
  S  S116  1  0.249599  0.041604  0.610992  1
  S  S117  1  0.333224  0.166648  0.610793  1
  S  S118  1  0.416644  0.291628  0.610703  1
  S  S119  1  0.500010  0.416635  0.610713  1
  S  S120  1  0.583333  0.541647  0.610755  1
  S  S121  1  0.666657  0.666600  0.610851  1
  S  S122  1  0.750238  0.791400  0.611013  1
  S  S123  1  0.834026  0.916297  0.610956  1
  S  S124  1  0.416380  0.041478  0.610776  1
  S  S125  1  0.499914  0.166536  0.610656  1
  S  S126  1  0.583333  0.291573  0.610724  1
  S  S127  1  0.666656  0.416635  0.610713  1
  S  S128  1  0.749936  0.541699  0.610813  1
  S  S129  1  0.833289  0.666652  0.610950  1
  S  S130  1  0.917116  0.790990  0.610999  1
  S  S131  1  0.000896  0.916636  0.610960  1
  S  S132  1  0.583333  0.041506  0.610613  1
  S  S133  1  0.666753  0.166536  0.610656  1
  S  S134  1  0.750023  0.291628  0.610703  1
  S  S135  1  0.833321  0.416736  0.610780  1
  S  S136  1  0.916528  0.541996  0.610993  1
  S  S137  1  -0.000449  0.667348  0.610993  1
  S  S138  1  0.750286  0.041478  0.610776  1
  S  S139  1  0.833443  0.166648  0.610793  1
  S  S140  1  0.916703  0.291772  0.610713  1
  S  S141  1  0.000016  0.416957  0.610806  1
  S  S142  1  0.917067  0.041604  0.610992  1
  S  S143  1  0.000067  0.166741  0.610814  1
  Cl  Cl144  1  0.083333  0.791647  0.383635  1
