data_[Ca8Cd20Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.9222]
_cell_length_b [9.7407]
_cell_length_c [20.3385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ca2Cd5Hg4]
_chemical_formula_sum '[Ca8 Cd20 Hg16]'
_cell_volume [1173.2466]
_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
[
  Ca  Ca0  8  0.0000  0.0000  0.1047  1
  Cd  Cd1  8  0.2500  0.2500  0.0000  1
  Cd  Cd2  8  0.2500  0.2500  0.2500  1
  Cd  Cd3  4  0.0000  0.0000  0.5000  1
  Hg  Hg4  16  0.0000  0.1570  0.3679  1
]