data_[Ba12Hg4Rh2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9956]
_cell_length_b [8.9543]
_cell_length_c [14.3834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2RhCl]
_chemical_formula_sum '[Ba12 Hg4 Rh2 Cl2]'
_cell_volume [857.6808]
_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  0.1010  0.1983  0.9362  1.0
  Ba  Ba1  4  0.2570  0.6718  0.9377  1.0
  Ba  Ba2  4  0.3706  0.0340  0.7408  1.0
  Hg  Hg3  4  0.1976  0.1063  0.2455  1.0
  Rh  Rh4  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl5  2  0.5000  0.0000  0.0000  1.0
]