data_[Cs2Mn4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2637]
_cell_length_b [5.9045]
_cell_length_c [10.6764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(MnBr3)2]
_chemical_formula_sum '[Cs2 Mn4 Br12]'
_cell_volume [694.2438]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.1781  0.0000  0.0726  1.0
  Br  Br2  4  0.0151  0.0000  0.1615  1.0
  Br  Br3  4  0.1666  0.5000  0.6842  1.0
  Br  Br4  4  0.1908  0.5000  0.0543  1.0
]