data_[Ba4Mn8Br24]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6566]
_cell_length_b [13.2691]
_cell_length_c [7.6178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(MnBr3)2]
_chemical_formula_sum '[Ba4 Mn8 Br24]'
_cell_volume [1422.4635]
_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
[
  Ba  Ba0  4  0.0000  0.1366  0.7500  1.0
  Mn  Mn1  8  0.1974  0.4290  0.7500  1.0
  Br  Br2  8  0.1222  0.0660  0.1613  1.0
  Br  Br3  8  0.1336  0.2740  0.5816  1.0
  Br  Br4  8  0.1428  0.4205  0.0396  1.0
]