data_[Ba12Hg4Pd2Rh2]
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 [P2_1/c]
_cell_length_a [8.0672]
_cell_length_b [8.8132]
_cell_length_c [14.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2PdRh]
_chemical_formula_sum '[Ba12 Hg4 Pd2 Rh2]'
_cell_volume [846.9387]
_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  4  0.1258  0.0253  0.7459  1
  Ba  Ba1  4  0.2318  0.6922  0.5566  1
  Ba  Ba2  4  0.3720  0.1818  0.5566  1
  Hg  Hg3  4  0.2936  0.1030  0.2503  1
  Pd  Pd4  2  0.5000  0.0000  0.0000  1
  Rh  Rh5  2  0.0000  0.0000  0.5000  1
]