data_[Ba12Zn8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4572]
_cell_length_b [4.5405]
_cell_length_c [13.6828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba3Zn2Rh]
_chemical_formula_sum '[Ba12 Zn8 Rh4]'
_cell_volume [836.0544]
_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  4  0.0639  0.2500  0.6279  1
  Ba  Ba1  4  0.1122  0.7500  0.0545  1
  Ba  Ba2  4  0.2151  0.2500  0.2963  1
  Zn  Zn3  4  0.0429  0.7500  0.8202  1
  Zn  Zn4  4  0.2144  0.7500  0.4816  1
  Rh  Rh5  4  0.1286  0.2500  0.8666  1
]