data_[Ba4Cd4Hg4]
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 [C2/m]
_cell_length_a [12.0369]
_cell_length_b [5.2514]
_cell_length_c [8.2344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.6292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCdHg]
_chemical_formula_sum '[Ba4 Cd4 Hg4]'
_cell_volume [389.0542]
_cell_formula_units_Z [4]
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  0.0387  0.5000  0.2931  1
  Cd  Cd1  4  0.1633  0.0000  0.1106  1
  Hg  Hg2  4  0.1694  0.0000  0.7172  1
]