data_[Ba16Pd4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2435]
_cell_length_b [18.0942]
_cell_length_c [7.8772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4PdRh]
_chemical_formula_sum '[Ba16 Pd4 Rh4]'
_cell_volume [1069.0117]
_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  0.2384  0.1832  0.7465  1.0
  Ba  Ba1  8  0.2434  0.0517  0.2417  1.0
  Pd  Pd2  4  0.0000  0.4266  0.2500  1.0
  Rh  Rh3  4  0.0000  0.0776  0.7500  1.0
]