data_[Cs2K2Mn2Br8]
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/m]
_cell_length_a [7.6857]
_cell_length_b [7.7592]
_cell_length_c [9.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsKMnBr4]
_chemical_formula_sum '[Cs2 K2 Mn2 Br8]'
_cell_volume [560.1662]
_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  0.2723  0.2500  0.0685  1.0
  K  K1  2  0.2242  0.2500  0.5515  1.0
  Mn  Mn2  2  0.2187  0.7500  0.3131  1.0
  Br  Br3  4  0.0022  0.0001  0.2631  1.0
  Br  Br4  2  0.4078  0.7500  0.1484  1.0
  Br  Br5  2  0.4114  0.7500  0.5667  1.0
]