# generated using pymatgen
data_BaFe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93044482
_cell_length_b   6.93044482
_cell_length_c   5.16512400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.67728491
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2S3
_chemical_formula_sum   'Ba2 Fe4 S6'
_cell_volume   242.95179640
_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  0.68288600  0.31711400  0.25000000  1.0
  Ba  Ba1  1  0.31711400  0.68288600  0.75000000  1.0
  Fe  Fe2  1  0.14517500  0.14517500  0.00000000  1.0
  Fe  Fe3  1  0.85482500  0.85482500  0.00000000  1.0
  Fe  Fe4  1  0.85482500  0.85482500  0.50000000  1.0
  Fe  Fe5  1  0.14517500  0.14517500  0.50000000  1.0
  S  S6  1  0.81939000  0.60001000  0.75000000  1.0
  S  S7  1  0.18061000  0.39999000  0.25000000  1.0
  S  S8  1  0.60001000  0.81939000  0.25000000  1.0
  S  S9  1  0.39999000  0.18061000  0.75000000  1.0
  S  S10  1  0.88982500  0.11017500  0.75000000  1.0
  S  S11  1  0.11017500  0.88982500  0.25000000  1.0