# generated using pymatgen
data_Ba(TiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61440181
_cell_length_b   8.61440101
_cell_length_c   8.61440147
_cell_angle_alpha   47.33898650
_cell_angle_beta   47.33899113
_cell_angle_gamma   47.33898125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(TiS2)4
_chemical_formula_sum   'Ba1 Ti4 S8'
_cell_volume   316.23877649
_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  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.26808835  0.77297265  0.77297265  1.0
  S  S6  1  0.22702735  0.22702735  0.73191165  1.0
  S  S7  1  0.73191165  0.22702735  0.22702735  1.0
  S  S8  1  0.22702735  0.73191165  0.22702735  1.0
  S  S9  1  0.27199069  0.27199069  0.27199069  1.0
  S  S10  1  0.72800931  0.72800931  0.72800931  1.0
  S  S11  1  0.77297265  0.26808835  0.77297265  1.0
  S  S12  1  0.77297265  0.77297265  0.26808835  1.0