data_[Rb4Ba2Mn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P2_1/c]
_cell_length_a [7.9618]
_cell_length_b [8.2672]
_cell_length_c [13.8223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2BaMnBr6]
_chemical_formula_sum '[Rb4 Ba2 Mn2 Br12]'
_cell_volume [752.0976]
_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
[
  Rb  Rb0  4  0.2248  0.5664  0.7463  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1272  0.7235  0.4489  1.0
  Br  Br4  4  0.2293  0.1820  0.4533  1.0
  Br  Br5  4  0.3196  0.5240  0.2261  1.0
]