data_[Mn2Bi2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [6.6968]
_cell_length_b [4.1906]
_cell_length_c [7.5765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnBiBrO2]
_chemical_formula_sum '[Mn2 Bi2 Br2 O4]'
_cell_volume [212.6122]
_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
[
  Mn  Mn0  2  0.4041  0.2500  0.1305  1.0
  Bi  Bi1  2  0.3131  0.2500  0.6151  1.0
  Br  Br2  2  0.0311  0.2500  0.2325  1.0
  O  O3  2  0.4580  0.7500  0.6065  1.0
  O  O4  2  0.4849  0.2500  0.8614  1.0
]