data_[Cs2Mn2Br10]
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 [Imm2]
_cell_length_a [8.2175]
_cell_length_b [10.1537]
_cell_length_c [7.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsMnBr5]
_chemical_formula_sum '[Cs2 Mn2 Br10]'
_cell_volume [596.5824]
_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  0.6853  1
  Mn  Mn1  2  0.0000  0.5000  0.6540  1
  Br  Br2  4  0.0000  0.3242  0.4365  1
  Br  Br3  4  0.2050  0.0000  0.1665  1
  Br  Br4  2  0.0000  0.5000  0.9854  1
]