data_[Ac2Cd1Sn3Hg6]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5132]
_cell_length_b [4.5132]
_cell_length_c [19.6729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac2Cd(SnHg2)3]
_chemical_formula_sum '[Ac2 Cd1 Sn3 Hg6]'
_cell_volume [400.7253]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.2338  1
  Cd  Cd1  1  0.5000  0.5000  0.5000  1
  Sn  Sn2  2  0.0000  0.0000  0.2930  1
  Sn  Sn3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0000  0.5000  0.4000  1
  Hg  Hg5  2  0.0000  0.0000  0.1415  1
]