data_[Ba4Mn6Br4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [I4/mmm]
_cell_length_a [5.8999]
_cell_length_b [5.8999]
_cell_length_c [13.5155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2Mn3(BrO2)2]
_chemical_formula_sum '[Ba4 Mn6 Br4 O8]'
_cell_volume [470.4613]
_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  4  0.0000  0.0000  0.3654  1
  Mn  Mn1  4  0.0000  0.5000  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.0000  0.5000  0.2500  1
  O  O4  8  0.2480  0.2480  0.5000  1
]