data_[Ac3Cd8Hg1]
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 [P3m1]
_cell_length_a [6.2494]
_cell_length_b [6.2494]
_cell_length_c [9.8152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ac3Cd8Hg]
_chemical_formula_sum '[Ac3 Cd8 Hg1]'
_cell_volume [331.9758]
_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  1  0.0000  0.0000  0.9227  1
  Ac  Ac1  1  0.6667  0.3333  0.0625  1
  Ac  Ac2  1  0.6667  0.3333  0.4548  1
  Cd  Cd3  3  0.1619  0.3238  0.2507  1
  Cd  Cd4  3  0.5002  0.4998  0.7521  1
  Cd  Cd5  1  0.3333  0.6667  0.0017  1
  Cd  Cd6  1  0.3333  0.6667  0.4997  1
  Hg  Hg7  1  0.0000  0.0000  0.5503  1
]