# generated using pymatgen
data_BaFe2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56810138
_cell_length_b   7.56810138
_cell_length_c   5.46367100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.76882882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Se3
_chemical_formula_sum   'Ba2 Fe4 Se6'
_cell_volume   301.16096865
_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  0.31416700  0.68583300  0.75000000  1.0
  Ba  Ba1  1  0.68583300  0.31416700  0.25000000  1.0
  Fe  Fe2  1  0.13879500  0.13879500  0.00000000  1.0
  Fe  Fe3  1  0.13879500  0.13879500  0.50000000  1.0
  Fe  Fe4  1  0.86120500  0.86120500  0.00000000  1.0
  Fe  Fe5  1  0.86120500  0.86120500  0.50000000  1.0
  Se  Se6  1  0.86632200  0.13367800  0.75000000  1.0
  Se  Se7  1  0.13367800  0.86632200  0.25000000  1.0
  Se  Se8  1  0.41004000  0.17064100  0.75000000  1.0
  Se  Se9  1  0.17064100  0.41004000  0.25000000  1.0
  Se  Se10  1  0.58996000  0.82935900  0.25000000  1.0
  Se  Se11  1  0.82935900  0.58996000  0.75000000  1.0