data_[Al1Cd2In1Hg8]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5902]
_cell_length_b [6.5902]
_cell_length_c [8.5512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [AlCd2InHg8]
_chemical_formula_sum '[Al1 Cd2 In1 Hg8]'
_cell_volume [321.6328]
_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
[
  Al  Al0  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.3333  0.6667  0.0937  1.0
  In  In2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  6  0.1763  0.3527  0.7738  1.0
  Hg  Hg4  2  0.3333  0.6667  0.4456  1.0
]