data_[Cs2K4Mn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [7.8460]
_cell_length_b [8.6976]
_cell_length_c [13.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsK2MnBr6]
_chemical_formula_sum '[Cs2 K4 Mn2 Br12]'
_cell_volume [758.3354]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.0000  1.0
  K  K1  4  0.3032  0.5563  0.7732  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0615  0.5982  0.1948  1.0
  Br  Br4  4  0.2724  0.2498  0.1183  1.0
  Br  Br5  4  0.2834  0.6564  0.0250  1.0
]