# generated using pymatgen
data_AsW48S95
_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   AsW48S95
_chemical_formula_sum   'As1 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
  As  As1  1  0.083333  0.791720  0.371130  1
  W  W2  1  0.000575  0.750149  0.500726  1
  W  W3  1  0.083333  0.874577  0.500626  1
  W  W4  1  -0.000071  0.499771  0.500062  1
  W  W5  1  0.083333  0.625062  0.500560  1
  W  W6  1  0.166092  0.750149  0.500726  1
  W  W7  1  0.250019  0.875039  0.500533  1
  W  W8  1  -0.000041  0.250053  0.499970  1
  W  W9  1  0.083333  0.375042  0.499925  1
  W  W10  1  0.166738  0.499771  0.500062  1
  W  W11  1  0.250172  0.624738  0.500433  1
  W  W12  1  0.333682  0.749996  0.500422  1
  W  W13  1  0.416900  0.875048  0.500042  1
  W  W14  1  -0.000140  0.000273  0.500440  1
  W  W15  1  0.083333  0.125271  0.500171  1
  W  W16  1  0.166707  0.250053  0.499970  1
  W  W17  1  0.249960  0.374970  0.499961  1
  W  W18  1  0.333441  0.499891  0.500005  1
  W  W19  1  0.416883  0.624829  0.500159  1
  W  W20  1  0.500073  0.749967  0.499974  1
  W  W21  1  0.583333  0.875122  0.499956  1
  W  W22  1  0.166807  0.000273  0.500440  1
  W  W23  1  0.250066  0.125150  0.500013  1
  W  W24  1  0.333403  0.250093  0.499942  1
  W  W25  1  0.416748  0.374907  0.499951  1
  W  W26  1  0.499995  0.499887  0.499970  1
  W  W27  1  0.583333  0.624947  0.499961  1
  W  W28  1  0.666593  0.749967  0.499974  1
  W  W29  1  0.749766  0.875048  0.500041  1
  W  W30  1  0.333532  0.000186  0.500060  1
  W  W31  1  0.416759  0.125018  0.499967  1
  W  W32  1  0.499964  0.250001  0.499968  1
  W  W33  1  0.583333  0.374971  0.499973  1
  W  W34  1  0.666672  0.499887  0.499970  1
  W  W35  1  0.749783  0.624829  0.500159  1
  W  W36  1  0.832984  0.749996  0.500422  1
  W  W37  1  0.916647  0.875040  0.500533  1
  W  W38  1  0.499992  0.000046  0.499926  1
  W  W39  1  0.583333  0.125079  0.499964  1
  W  W40  1  0.666703  0.250001  0.499968  1
  W  W41  1  0.749919  0.374907  0.499951  1
  W  W42  1  0.833226  0.499891  0.500005  1
  W  W43  1  0.916495  0.624738  0.500433  1
  W  W44  1  0.666675  0.000046  0.499926  1
  W  W45  1  0.749908  0.125018  0.499967  1
  W  W46  1  0.833263  0.250093  0.499942  1
  W  W47  1  0.916707  0.374970  0.499961  1
  W  W48  1  0.833135  0.000186  0.500060  1
  W  W49  1  0.916601  0.125150  0.500013  1
  S  S50  1  0.166577  0.916714  0.390059  1
  S  S51  1  0.083333  0.541844  0.389550  1
  S  S52  1  0.166735  0.666716  0.390043  1
  S  S53  1  0.249914  0.791553  0.390137  1
  S  S54  1  0.333194  0.916602  0.389509  1
  S  S55  1  0.083333  0.291714  0.389194  1
  S  S56  1  0.166657  0.416572  0.389071  1
  S  S57  1  0.250024  0.541516  0.389325  1
  S  S58  1  0.333424  0.666604  0.389645  1
  S  S59  1  0.416780  0.791716  0.389281  1
  S  S60  1  0.500043  0.916773  0.389087  1
  S  S61  1  0.083333  0.041797  0.389651  1
  S  S62  1  0.166661  0.166752  0.389210  1
  S  S63  1  0.250042  0.291660  0.389148  1
  S  S64  1  0.333387  0.416585  0.389202  1
  S  S65  1  0.416745  0.541593  0.389186  1
  S  S66  1  0.500013  0.666588  0.389189  1
  S  S67  1  0.583333  0.791682  0.389175  1
  S  S68  1  0.666624  0.916773  0.389087  1
  S  S69  1  0.250122  0.041762  0.389345  1
  S  S70  1  0.333404  0.166745  0.389200  1
  S  S71  1  0.416708  0.291659  0.389103  1
  S  S72  1  0.500029  0.416583  0.389142  1
  S  S73  1  0.583333  0.541569  0.389207  1
  S  S74  1  0.666653  0.666588  0.389189  1
  S  S75  1  0.749887  0.791715  0.389281  1
  S  S76  1  0.833473  0.916602  0.389509  1
  S  S77  1  0.416768  0.041747  0.389090  1
  S  S78  1  0.500045  0.166717  0.389156  1
  S  S79  1  0.583333  0.291637  0.389222  1
  S  S80  1  0.666638  0.416583  0.389142  1
  S  S81  1  0.749922  0.541593  0.389186  1
  S  S82  1  0.833243  0.666604  0.389645  1
  S  S83  1  0.916753  0.791553  0.390138  1
  S  S84  1  0.000090  0.916714  0.390059  1
  S  S85  1  0.583333  0.041718  0.389192  1
  S  S86  1  0.666622  0.166717  0.389156  1
  S  S87  1  0.749959  0.291659  0.389103  1
  S  S88  1  0.833279  0.416585  0.389202  1
  S  S89  1  0.916643  0.541516  0.389325  1
  S  S90  1  -0.000068  0.666716  0.390043  1
  S  S91  1  0.749899  0.041747  0.389090  1
  S  S92  1  0.833263  0.166745  0.389201  1
  S  S93  1  0.916624  0.291660  0.389148  1
  S  S94  1  0.000010  0.416572  0.389071  1
  S  S95  1  0.916545  0.041762  0.389345  1
  S  S96  1  0.000006  0.166751  0.389210  1
  S  S97  1  0.083333  0.791704  0.610879  1
  S  S98  1  0.166864  0.916966  0.611313  1
  S  S99  1  0.083333  0.541503  0.610823  1
  S  S100  1  0.166906  0.666357  0.611379  1
  S  S101  1  0.250345  0.791636  0.611274  1
  S  S102  1  0.333520  0.916767  0.610832  1
  S  S103  1  0.083333  0.291719  0.610727  1
  S  S104  1  0.166679  0.416534  0.610867  1
  S  S105  1  0.250050  0.541263  0.610925  1
  S  S106  1  0.333646  0.666494  0.610931  1
  S  S107  1  0.417047  0.791826  0.610940  1
  S  S108  1  0.500094  0.916777  0.610843  1
  S  S109  1  0.083333  0.042003  0.610956  1
  S  S110  1  0.166745  0.166821  0.610883  1
  S  S111  1  0.250045  0.291670  0.610797  1
  S  S112  1  0.333390  0.416561  0.610734  1
  S  S113  1  0.416773  0.541506  0.610893  1
  S  S114  1  0.500111  0.666615  0.610852  1
  S  S115  1  0.583333  0.791698  0.610712  1
  S  S116  1  0.666573  0.916777  0.610843  1
  S  S117  1  0.250362  0.041907  0.610910  1
  S  S118  1  0.333425  0.166766  0.610737  1
  S  S119  1  0.416702  0.291664  0.610851  1
  S  S120  1  0.500026  0.416577  0.610817  1
  S  S121  1  0.583333  0.541572  0.610745  1
  S  S122  1  0.666555  0.666615  0.610852  1
  S  S123  1  0.749620  0.791826  0.610940  1
  S  S124  1  0.833147  0.916768  0.610832  1
  S  S125  1  0.416800  0.041777  0.610863  1
  S  S126  1  0.500048  0.166713  0.610819  1
  S  S127  1  0.583333  0.291637  0.610765  1
  S  S128  1  0.666640  0.416578  0.610816  1
  S  S129  1  0.749894  0.541506  0.610893  1
  S  S130  1  0.833021  0.666495  0.610931  1
  S  S131  1  0.916321  0.791636  0.611274  1
  S  S132  1  -0.000197  0.916966  0.611313  1
  S  S133  1  0.583333  0.041709  0.610713  1
  S  S134  1  0.666619  0.166713  0.610819  1
  S  S135  1  0.749965  0.291664  0.610851  1
  S  S136  1  0.833276  0.416561  0.610734  1
  S  S137  1  0.916617  0.541263  0.610925  1
  S  S138  1  -0.000240  0.666357  0.611379  1
  S  S139  1  0.749867  0.041777  0.610863  1
  S  S140  1  0.833242  0.166766  0.610737  1
  S  S141  1  0.916622  0.291670  0.610797  1
  S  S142  1  -0.000013  0.416534  0.610867  1
  S  S143  1  0.916305  0.041907  0.610910  1
  S  S144  1  -0.000078  0.166821  0.610883  1
