data_[Ba12Cu16Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.9518]
_cell_length_b [7.7841]
_cell_length_c [7.7716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3(Cu2Rh)2]
_chemical_formula_sum '[Ba12 Cu16 Rh8]'
_cell_volume [925.4247]
_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  0.1249  0.0159  0.7258  1
  Ba  Ba1  4  0.0000  0.4760  0.2500  1
  Cu  Cu2  8  0.1913  0.3578  0.1897  1
  Cu  Cu3  8  0.2124  0.3710  0.8817  1
  Rh  Rh4  8  0.1948  0.3462  0.5343  1
]