# generated using pymatgen
data_Ba2Nb5WS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82308221
_cell_length_b   5.82308208
_cell_length_c   16.02497918
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Nb5WS12
_chemical_formula_sum   'Ba2 Nb5 W1 S12'
_cell_volume   470.58053691
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00213693  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.49786307  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.25000000  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.75000000  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.25000000  1.0
  Nb  Nb6  1  0.33333300  0.66666700  0.75000000  1.0
  W  W7  1  0.00000000  0.00000000  0.75000000  1.0
  S  S8  1  0.33700177  0.00000000  0.15249781  1.0
  S  S9  1  0.00000000  0.33700177  0.15249781  1.0
  S  S10  1  0.66299823  0.66299823  0.15249781  1.0
  S  S11  1  0.32870105  0.32870105  0.65378684  1.0
  S  S12  1  0.66299823  0.66299823  0.34750219  1.0
  S  S13  1  0.67129895  1.00000000  0.65378684  1.0
  S  S14  1  0.00000000  0.67129895  0.65378684  1.0
  S  S15  1  0.00000000  0.67129895  0.84621316  1.0
  S  S16  1  0.32870105  0.32870105  0.84621316  1.0
  S  S17  1  0.00000000  0.33700177  0.34750219  1.0
  S  S18  1  0.33700177  0.00000000  0.34750219  1.0
  S  S19  1  0.67129895  1.00000000  0.84621316  1.0