data_[Li10Cd1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.0641]
_cell_length_b [8.0641]
_cell_length_c [5.6815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Li10CdHg6]
_chemical_formula_sum '[Li10 Cd1 Hg6]'
_cell_volume [319.9650]
_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
[
  Li  Li0  6  0.0000  0.2980  0.8174  1
  Li  Li1  2  0.3333  0.6667  0.5000  1
  Li  Li2  2  0.3333  0.6667  0.0000  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  6  0.0000  0.3634  0.3026  1
]