data_[Ba18Pd3Rh6Au3]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9693]
_cell_length_b [7.9693]
_cell_length_c [22.0204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6PdRh2Au]
_chemical_formula_sum '[Ba18 Pd3 Rh6 Au3]'
_cell_volume [1211.1431]
_cell_formula_units_Z [3]
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  9  0.0026  0.3531  0.7478  1.0
  Ba  Ba1  9  0.0075  0.6381  0.2501  1.0
  Pd  Pd2  3  0.0000  0.0000  0.6751  1.0
  Rh  Rh3  3  0.0000  0.0000  0.4942  1.0
  Rh  Rh4  3  0.0000  0.0000  0.9970  1.0
  Au  Au5  3  0.0000  0.0000  0.1773  1.0
]