data_[Ba4Cd4Hg16]
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 [Pbam]
_cell_length_a [9.3266]
_cell_length_b [19.1645]
_cell_length_c [3.9692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [BaCdHg4]
_chemical_formula_sum '[Ba4 Cd4 Hg16]'
_cell_volume [709.4631]
_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  0.1269  0.1635  0.0000  1
  Cd  Cd1  4  0.1218  0.4205  0.0000  1
  Hg  Hg2  4  0.0297  0.6858  0.5000  1
  Hg  Hg3  4  0.1025  0.9452  0.5000  1
  Hg  Hg4  4  0.1552  0.5453  0.5000  1
  Hg  Hg5  4  0.2193  0.8049  0.5000  1
]