data_[Ba4Cd2Hg2]
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 [12.8823]
_cell_length_b [4.1561]
_cell_length_c [5.9508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2CdHg]
_chemical_formula_sum '[Ba4 Cd2 Hg2]'
_cell_volume [300.4980]
_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  0.0272  0.0000  0.0587  1.0
  Ba  Ba1  2  0.2268  0.0000  0.6965  1.0
  Cd  Cd2  2  0.4698  0.0000  0.5046  1.0
  Hg  Hg3  2  0.2762  0.5000  0.2401  1.0
]