data_[Ba6Cd2Rh2]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.1402]
_cell_length_b [5.8818]
_cell_length_c [8.7551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba3CdRh]
_chemical_formula_sum '[Ba6 Cd2 Rh2]'
_cell_volume [414.9699]
_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  1  0.0026  0.5000  0.6224  1.0
  Ba  Ba1  1  0.1261  0.0000  0.3598  1.0
  Ba  Ba2  1  0.3328  0.5000  0.0423  1.0
  Ba  Ba3  1  0.5435  0.5000  0.4890  1.0
  Ba  Ba4  1  0.5860  0.0000  0.8151  1.0
  Ba  Ba5  1  0.8581  0.5000  0.1037  1.0
  Cd  Cd6  1  0.0359  0.0000  0.8543  1.0
  Cd  Cd7  1  0.6489  0.0000  0.2698  1.0
  Rh  Rh8  1  0.1837  0.5000  0.3251  1.0
  Rh  Rh9  1  0.8057  0.0000  0.5752  1.0
]