data_[Mn8Br8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.9016]
_cell_length_b [7.3488]
_cell_length_c [10.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mn2Br2O]
_chemical_formula_sum '[Mn8 Br8 O4]'
_cell_volume [459.0138]
_cell_formula_units_Z [4]
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  4  0.0000  0.2977  0.5000  1
  Mn  Mn1  4  0.0000  0.5000  0.1852  1
  Br  Br2  4  0.0000  0.0000  0.3297  1
  Br  Br3  4  0.0000  0.2507  0.0000  1
  O  O4  4  0.0000  0.5000  0.3665  1
]