data_[Mn8Cd4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4880]
_cell_length_b [12.2179]
_cell_length_c [7.1993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2CdBr6]
_chemical_formula_sum '[Mn8 Cd4 Br24]'
_cell_volume [1162.2912]
_cell_formula_units_Z [4]
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
[
  Mn  Mn0  8  0.1939  0.4162  0.3162  1
  Cd  Cd1  4  0.0000  0.1113  0.2500  1
  Br  Br2  8  0.1133  0.0774  0.6226  1
  Br  Br3  8  0.1297  0.4181  0.6200  1
  Br  Br4  8  0.1305  0.2504  0.1276  1
]