data_[Ba3Cd27Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1946]
_cell_length_b [6.1946]
_cell_length_c [28.0178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaCd9Hg2]
_chemical_formula_sum '[Ba3 Cd27 Hg6]'
_cell_volume [931.0904]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Cd  Cd1  18  0.0125  0.5062  0.9109  1
  Cd  Cd2  6  0.0000  0.0000  0.3348  1
  Cd  Cd3  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg4  6  0.0000  0.0000  0.1380  1
]