data_[Ba12Hg2Rh4]
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 [C2/m]
_cell_length_a [15.3672]
_cell_length_b [6.1019]
_cell_length_c [10.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6HgRh2]
_chemical_formula_sum '[Ba12 Hg2 Rh4]'
_cell_volume [868.4025]
_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  0.0216  0.0000  0.1981  1.0
  Ba  Ba1  4  0.1576  0.5000  0.5968  1.0
  Ba  Ba2  4  0.2031  0.5000  0.0847  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.1777  0.0000  0.1023  1.0
]