data_[Li21Cd36Hg3]
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 [R-3]
_cell_length_a [12.6562]
_cell_length_b [12.6562]
_cell_length_c [8.8450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li7Cd12Hg]
_chemical_formula_sum '[Li21 Cd36 Hg3]'
_cell_volume [1226.9786]
_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
[
  Li  Li0  18  0.0610  0.8177  0.9205  1.0
  Li  Li1  3  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  18  0.0479  0.8428  0.2398  1.0
  Cd  Cd3  18  0.0544  0.8065  0.5828  1.0
  Hg  Hg4  3  0.0000  0.0000  0.0000  1.0
]