data_[Al3Cd3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4801]
_cell_length_b [3.4801]
_cell_length_c [26.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AlCdHg2]
_chemical_formula_sum '[Al3 Cd3 Hg6]'
_cell_volume [276.1587]
_cell_formula_units_Z [3]
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
[
  Al  Al0  3  0.0000  0.0000  0.3329  1.0
  Cd  Cd1  3  0.0000  0.0000  0.5003  1.0
  Hg  Hg2  3  0.0000  0.0000  0.7449  1.0
  Hg  Hg3  3  0.0000  0.0000  0.9220  1.0
]