data_[Ba3Cd6Ag1Hg2]
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
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1851]
_cell_length_b [7.1851]
_cell_length_c [8.9595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Cd6AgHg2]
_chemical_formula_sum '[Ba3 Cd6 Ag1 Hg2]'
_cell_volume [400.5702]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7143  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Cd  Cd2  6  0.1923  0.3845  0.3543  1
  Ag  Ag3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.3333  0.6667  0.0824  1
]