data_[Ac2Cd12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.4334]
_cell_length_b [7.4334]
_cell_length_c [11.0203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ac(Cd3Hg2)2]
_chemical_formula_sum '[Ac2 Cd12 Hg8]'
_cell_volume [608.9347]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  8  0.1556  0.1556  0.5994  1
  Cd  Cd2  4  0.0000  0.5000  0.0000  1
  Hg  Hg3  8  0.2353  0.2353  0.3303  1
]