# generated using pymatgen
data_NaW48S95
_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   NaW48S95
_chemical_formula_sum   'Na1 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
  Na  Na1  1  0.083334  0.791789  0.304621  1
  W  W2  1  0.003112  0.751621  0.508575  1
  W  W3  1  0.083333  0.871898  0.508602  1
  W  W4  1  0.000038  0.500802  0.500838  1
  W  W5  1  0.083333  0.626903  0.504280  1
  W  W6  1  0.163554  0.751621  0.508575  1
  W  W7  1  0.248272  0.874097  0.504064  1
  W  W8  1  0.000050  0.250122  0.499327  1
  W  W9  1  0.083334  0.375493  0.499858  1
  W  W10  1  0.166629  0.500802  0.500838  1
  W  W11  1  0.249478  0.625989  0.501126  1
  W  W12  1  0.332250  0.749936  0.500927  1
  W  W13  1  0.416136  0.874584  0.500589  1
  W  W14  1  0.000631  -0.000844  0.501096  1
  W  W15  1  0.083333  0.124849  0.499549  1
  W  W16  1  0.166617  0.250122  0.499327  1
  W  W17  1  0.249890  0.375346  0.499565  1
  W  W18  1  0.333091  0.500481  0.499552  1
  W  W19  1  0.416478  0.625114  0.499328  1
  W  W20  1  0.499661  0.749871  0.499287  1
  W  W21  1  0.583333  0.874708  0.499777  1
  W  W22  1  0.166036  -0.000844  0.501096  1
  W  W23  1  0.249688  0.124645  0.499559  1
  W  W24  1  0.333175  0.249972  0.499316  1
  W  W25  1  0.416555  0.375122  0.499206  1
  W  W26  1  0.499921  0.500070  0.498977  1
  W  W27  1  0.583333  0.625026  0.498844  1
  W  W28  1  0.667006  0.749871  0.499287  1
  W  W29  1  0.750530  0.874584  0.500589  1
  W  W30  1  0.332737  -0.000420  0.500702  1
  W  W31  1  0.416454  0.124725  0.499673  1
  W  W32  1  0.499918  0.249881  0.499312  1
  W  W33  1  0.583333  0.374988  0.499078  1
  W  W34  1  0.666745  0.500070  0.498977  1
  W  W35  1  0.750188  0.625114  0.499328  1
  W  W36  1  0.834416  0.749935  0.500927  1
  W  W37  1  0.918394  0.874097  0.504065  1
  W  W38  1  0.499772  -0.000376  0.500106  1
  W  W39  1  0.583333  0.124736  0.499692  1
  W  W40  1  0.666748  0.249881  0.499313  1
  W  W41  1  0.750112  0.375121  0.499206  1
  W  W42  1  0.833576  0.500481  0.499552  1
  W  W43  1  0.917189  0.625989  0.501126  1
  W  W44  1  0.666894  -0.000376  0.500106  1
  W  W45  1  0.750213  0.124725  0.499673  1
  W  W46  1  0.833492  0.249972  0.499316  1
  W  W47  1  0.916776  0.375346  0.499565  1
  W  W48  1  0.833929  -0.000420  0.500702  1
  W  W49  1  0.916979  0.124645  0.499559  1
  S  S50  1  0.164260  0.912827  0.393572  1
  S  S51  1  0.083333  0.543847  0.391639  1
  S  S52  1  0.163995  0.670452  0.393637  1
  S  S53  1  0.244965  0.791794  0.393495  1
  S  S54  1  0.331392  0.915607  0.391410  1
  S  S55  1  0.083334  0.292122  0.388816  1
  S  S56  1  0.166492  0.417660  0.389436  1
  S  S57  1  0.249234  0.542839  0.389743  1
  S  S58  1  0.332413  0.667110  0.389566  1
  S  S59  1  0.415361  0.791621  0.389479  1
  S  S60  1  0.499423  0.916272  0.389495  1
  S  S61  1  0.083333  0.040821  0.389725  1
  S  S62  1  0.166588  0.166504  0.388692  1
  S  S63  1  0.249907  0.291921  0.388671  1
  S  S64  1  0.333059  0.417093  0.388739  1
  S  S65  1  0.416315  0.541862  0.388458  1
  S  S66  1  0.499686  0.666744  0.388276  1
  S  S67  1  0.583333  0.791589  0.388739  1
  S  S68  1  0.667243  0.916272  0.389495  1
  S  S69  1  0.249307  0.040569  0.389693  1
  S  S70  1  0.333113  0.166328  0.388833  1
  S  S71  1  0.416545  0.291615  0.388579  1
  S  S72  1  0.499900  0.416634  0.388329  1
  S  S73  1  0.583333  0.541663  0.388173  1
  S  S74  1  0.666981  0.666744  0.388276  1
  S  S75  1  0.751306  0.791620  0.389479  1
  S  S76  1  0.835275  0.915606  0.391409  1
  S  S77  1  0.416108  0.041010  0.389523  1
  S  S78  1  0.499907  0.166297  0.388872  1
  S  S79  1  0.583333  0.291473  0.388528  1
  S  S80  1  0.666766  0.416634  0.388330  1
  S  S81  1  0.750351  0.541862  0.388458  1
  S  S82  1  0.834254  0.667109  0.389567  1
  S  S83  1  0.921701  0.791794  0.393496  1
  S  S84  1  0.002407  0.912827  0.393572  1
  S  S85  1  0.583333  0.041164  0.389360  1
  S  S86  1  0.666760  0.166297  0.388872  1
  S  S87  1  0.750121  0.291614  0.388579  1
  S  S88  1  0.833607  0.417093  0.388739  1
  S  S89  1  0.917433  0.542840  0.389743  1
  S  S90  1  0.002671  0.670452  0.393638  1
  S  S91  1  0.750559  0.041010  0.389522  1
  S  S92  1  0.833554  0.166328  0.388834  1
  S  S93  1  0.916759  0.291922  0.388671  1
  S  S94  1  0.000176  0.417660  0.389436  1
  S  S95  1  0.917359  0.040569  0.389693  1
  S  S96  1  0.000079  0.166504  0.388692  1
  S  S97  1  0.083333  0.791706  0.622157  1
  S  S98  1  0.165770  0.917084  0.615371  1
  S  S99  1  0.083333  0.541830  0.612411  1
  S  S100  1  0.167597  0.667291  0.615466  1
  S  S101  1  0.250055  0.790737  0.615267  1
  S  S102  1  0.333419  0.916557  0.612142  1
  S  S103  1  0.083333  0.291815  0.610134  1
  S  S104  1  0.166758  0.416874  0.610754  1
  S  S105  1  0.250319  0.542124  0.611152  1
  S  S106  1  0.333694  0.666579  0.611000  1
  S  S107  1  0.416608  0.791175  0.610858  1
  S  S108  1  0.500018  0.916287  0.610793  1
  S  S109  1  0.083333  0.041929  0.611097  1
  S  S110  1  0.166567  0.166759  0.610119  1
  S  S111  1  0.249969  0.291787  0.610073  1
  S  S112  1  0.333379  0.416929  0.610074  1
  S  S113  1  0.416810  0.541772  0.609992  1
  S  S114  1  0.500063  0.666522  0.609823  1
  S  S115  1  0.583333  0.791229  0.609983  1
  S  S116  1  0.666649  0.916287  0.610793  1
  S  S117  1  0.249538  0.041672  0.611045  1
  S  S118  1  0.333060  0.166595  0.610110  1
  S  S119  1  0.416577  0.291704  0.609945  1
  S  S120  1  0.500018  0.416726  0.609795  1
  S  S121  1  0.583333  0.541697  0.609604  1
  S  S122  1  0.666603  0.666522  0.609823  1
  S  S123  1  0.750059  0.791175  0.610858  1
  S  S124  1  0.833247  0.916557  0.612142  1
  S  S125  1  0.416507  0.041576  0.610794  1
  S  S126  1  0.499905  0.166585  0.610227  1
  S  S127  1  0.583333  0.291650  0.609902  1
  S  S128  1  0.666648  0.416726  0.609795  1
  S  S129  1  0.749857  0.541771  0.609992  1
  S  S130  1  0.832972  0.666579  0.611001  1
  S  S131  1  0.916611  0.790737  0.615268  1
  S  S132  1  0.000896  0.917084  0.615370  1
  S  S133  1  0.583333  0.041445  0.610583  1
  S  S134  1  0.666762  0.166585  0.610227  1
  S  S135  1  0.750089  0.291704  0.609945  1
  S  S136  1  0.833288  0.416929  0.610074  1
  S  S137  1  0.916348  0.542124  0.611152  1
  S  S138  1  -0.000931  0.667291  0.615467  1
  S  S139  1  0.750159  0.041576  0.610794  1
  S  S140  1  0.833607  0.166595  0.610110  1
  S  S141  1  0.916698  0.291786  0.610074  1
  S  S142  1  -0.000092  0.416874  0.610753  1
  S  S143  1  0.917129  0.041673  0.611045  1
  S  S144  1  0.000100  0.166759  0.610119  1
