data_[Li2Cd8Hg2]
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 [C2/m]
_cell_length_a [5.2568]
_cell_length_b [8.6683]
_cell_length_c [5.9195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCd4Hg]
_chemical_formula_sum '[Li2 Cd8 Hg2]'
_cell_volume [269.3421]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd1  8  0.0688  0.3279  0.7440  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
]