data_[Fe2Bi2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6152]
_cell_length_b [4.2838]
_cell_length_c [7.3570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [FeBiBrO2]
_chemical_formula_sum '[Fe2 Bi2 Br2 O4]'
_cell_volume [208.3514]
_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
[
  Fe  Fe0  2  0.0758  0.7500  0.1333  1.0
  Bi  Bi1  2  0.1932  0.7500  0.6199  1.0
  Br  Br2  2  0.4561  0.7500  0.2343  1.0
  O  O3  2  0.0152  0.7500  0.8630  1.0
  O  O4  2  0.0489  0.2500  0.6101  1.0
]