data_[Ce2Cd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9526]
_cell_length_b [12.9943]
_cell_length_c [6.9547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCdBr6]
_chemical_formula_sum '[Ce2 Cd2 Br12]'
_cell_volume [593.4614]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  2  0.0000  0.5000  0.5000  1
  Br  Br2  8  0.2453  0.3495  0.7456  1
  Br  Br3  4  0.2430  0.0000  0.7565  1
]