data_[Ba18Hg3Pd6Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0895]
_cell_length_b [8.0895]
_cell_length_c [22.1043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba6HgPd2Rh]
_chemical_formula_sum '[Ba18 Hg3 Pd6 Rh3]'
_cell_volume [1252.7006]
_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  0.6451  0.2549  1.0
  Ba  Ba1  9  0.0331  0.3379  0.4119  1.0
  Hg  Hg2  3  0.0000  0.0000  0.1576  1.0
  Pd  Pd3  3  0.0000  0.0000  0.0187  1.0
  Pd  Pd4  3  0.0000  0.0000  0.5030  1.0
  Rh  Rh5  3  0.0000  0.0000  0.6612  1.0
]