data_[Ba12Hg4Rh2]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0130]
_cell_length_b [9.0248]
_cell_length_c [13.9716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2Rh]
_chemical_formula_sum '[Ba12 Hg4 Rh2]'
_cell_volume [844.9371]
_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  0.1234  0.1686  0.4405  1.0
  Ba  Ba1  4  0.2783  0.6977  0.4374  1.0
  Ba  Ba2  4  0.3861  0.0303  0.2547  1.0
  Hg  Hg3  4  0.1979  0.1138  0.7483  1.0
  Rh  Rh4  2  0.5000  0.0000  0.5000  1.0
]