data_[Ba12Hg4Rh2I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3768]
_cell_length_b [14.4835]
_cell_length_c [9.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Hg2RhI3]
_chemical_formula_sum '[Ba12 Hg4 Rh2 I6]'
_cell_volume [1066.6702]
_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  8  0.2200  0.1508  0.2076  1.0
  Ba  Ba1  4  0.2313  0.0000  0.7913  1.0
  Hg  Hg2  4  0.0000  0.3336  0.0000  1.0
  Rh  Rh3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1683  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]