data_[Ba12Rh4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4112]
_cell_length_b [13.7169]
_cell_length_c [7.8191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3RhCl2]
_chemical_formula_sum '[Ba12 Rh4 Cl8]'
_cell_volume [843.8646]
_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
[
  Ba  Ba0  8  0.2149  0.4261  0.0051  1.0
  Ba  Ba1  4  0.2500  0.2500  0.5000  1.0
  Rh  Rh2  4  0.0000  0.4052  0.2500  1.0
  Cl  Cl3  4  0.0000  0.0800  0.2500  1.0
  Cl  Cl4  4  0.0000  0.2435  0.7500  1.0
]