# generated using pymatgen
data_Ba2CoS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21270400
_cell_length_b   12.16381100
_cell_length_c   12.43083500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoS3
_chemical_formula_sum   'Ba8 Co4 S12'
_cell_volume   636.98750074
_cell_formula_units_Z   4
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  0.25000000  0.01120400  0.17408400  1.0
  Ba  Ba1  1  0.75000000  0.48879600  0.67408400  1.0
  Ba  Ba2  1  0.25000000  0.51120400  0.32591600  1.0
  Ba  Ba3  1  0.75000000  0.98879600  0.82591600  1.0
  Ba  Ba4  1  0.25000000  0.17288400  0.52210800  1.0
  Ba  Ba5  1  0.75000000  0.82711600  0.47789200  1.0
  Ba  Ba6  1  0.25000000  0.67288400  0.97789200  1.0
  Ba  Ba7  1  0.75000000  0.32711600  0.02210800  1.0
  Co  Co8  1  0.75000000  0.24481600  0.30254500  1.0
  Co  Co9  1  0.75000000  0.74481600  0.19745500  1.0
  Co  Co10  1  0.25000000  0.75518400  0.69745500  1.0
  Co  Co11  1  0.25000000  0.25518400  0.80254500  1.0
  S  S12  1  0.25000000  0.77156100  0.28001100  1.0
  S  S13  1  0.75000000  0.22843900  0.71998900  1.0
  S  S14  1  0.25000000  0.27156100  0.21998900  1.0
  S  S15  1  0.75000000  0.72843900  0.78001100  1.0
  S  S16  1  0.25000000  0.43531000  0.85956700  1.0
  S  S17  1  0.75000000  0.56469000  0.14043300  1.0
  S  S18  1  0.25000000  0.93531000  0.64043300  1.0
  S  S19  1  0.75000000  0.36064600  0.44605000  1.0
  S  S20  1  0.25000000  0.13935400  0.94605000  1.0
  S  S21  1  0.75000000  0.86064600  0.05395000  1.0
  S  S22  1  0.25000000  0.63935400  0.55395000  1.0
  S  S23  1  0.75000000  0.06469000  0.35956700  1.0