data_[Ba12Cd2Rh4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.4647]
_cell_length_b [4.5773]
_cell_length_c [10.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6CdRh2Br3]
_chemical_formula_sum '[Ba12 Cd2 Rh4 Br6]'
_cell_volume [937.7539]
_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
[
  Ba  Ba0  4  0.0157  0.0000  0.2623  1.0
  Ba  Ba1  4  0.1690  0.5000  0.1160  1.0
  Ba  Ba2  4  0.1782  0.5000  0.5558  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh4  4  0.1618  0.0000  0.3250  1.0
  Br  Br5  4  0.1664  0.0000  0.8256  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]