# generated using pymatgen
data_Ba2Ta5WS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77967395
_cell_length_b   5.77967390
_cell_length_c   16.01966531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ta5WS12
_chemical_formula_sum   'Ba2 Ta5 W1 S12'
_cell_volume   463.43706779
_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  0.50087851  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.99912149  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.75000000  1.0
  Ta  Ta3  1  0.33333300  0.66666700  0.25000000  1.0
  Ta  Ta4  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta5  1  0.66666700  0.33333300  0.25000000  1.0
  Ta  Ta6  1  0.33333300  0.66666700  0.75000000  1.0
  W  W7  1  0.00000000  0.00000000  0.25000000  1.0
  S  S8  1  0.33278568  1.00000000  0.15381279  1.0
  S  S9  1  1.00000000  0.33278568  0.15381279  1.0
  S  S10  1  0.66721432  0.66721432  0.15381279  1.0
  S  S11  1  0.33673012  0.33673012  0.65305710  1.0
  S  S12  1  0.66721432  0.66721432  0.34618721  1.0
  S  S13  1  0.66326988  0.00000000  0.65305710  1.0
  S  S14  1  0.00000000  0.66326988  0.65305710  1.0
  S  S15  1  0.00000000  0.66326988  0.84694290  1.0
  S  S16  1  0.33673012  0.33673012  0.84694290  1.0
  S  S17  1  1.00000000  0.33278568  0.34618721  1.0
  S  S18  1  0.33278568  1.00000000  0.34618721  1.0
  S  S19  1  0.66326988  0.00000000  0.84694290  1.0