# generated using pymatgen
data_BaCoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37710700
_cell_length_b   4.37710700
_cell_length_c   8.99303200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoS2
_chemical_formula_sum   'Ba2 Co2 S4'
_cell_volume   172.29809084
_cell_formula_units_Z   2
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  0.00000000  0.20059300  1.0
  Ba  Ba1  1  0.00000000  0.50000000  0.79940700  1.0
  Co  Co2  1  0.50000000  0.00000000  0.58737100  1.0
  Co  Co3  1  0.00000000  0.50000000  0.41262900  1.0
  S  S4  1  0.00000000  0.50000000  0.16024200  1.0
  S  S5  1  0.50000000  0.00000000  0.83975800  1.0
  S  S6  1  0.50000000  0.50000000  0.50000000  1.0
  S  S7  1  0.00000000  0.00000000  0.50000000  1.0