data_[Ba2Cd2Hg4]
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 [Cm]
_cell_length_a [11.1591]
_cell_length_b [4.6362]
_cell_length_c [5.6458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaCdHg2]
_chemical_formula_sum '[Ba2 Cd2 Hg4]'
_cell_volume [254.8336]
_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  2  0.4994  0.0000  0.4998  1.0
  Cd  Cd1  2  0.2254  0.5000  0.2163  1.0
  Hg  Hg2  2  0.0058  0.0000  0.0089  1.0
  Hg  Hg3  2  0.2693  0.0000  0.7750  1.0
]