# generated using pymatgen
data_NbW3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23219927
_cell_length_b   5.60221464
_cell_length_c   12.80831440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbW3S8
_chemical_formula_sum   'Nb1 W3 S8'
_cell_volume   231.92622088
_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
  Nb  Nb0  1  0.50000000  0.82687177  0.50000000  1.0
  W  W1  1  0.00000000  0.33830990  0.50000000  1.0
  W  W2  1  0.00000000  0.66693486  0.00000000  1.0
  W  W3  1  0.50000000  0.16699840  0.00000000  1.0
  S  S4  1  0.50000000  0.83362222  0.87967435  1.0
  S  S5  1  -0.00000000  0.33368001  0.87966404  1.0
  S  S6  1  0.00000000  0.66058624  0.62395677  1.0
  S  S7  1  0.50000000  0.17255507  0.62034884  1.0
  S  S8  1  0.00000000  0.66058624  0.37604323  1.0
  S  S9  1  0.50000000  0.17255507  0.37965116  1.0
  S  S10  1  0.50000000  0.83362222  0.12032565  1.0
  S  S11  1  -0.00000000  0.33368001  0.12033596  1.0