data_[Li2Cd4Hg12]
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 [16.4205]
_cell_length_b [8.0929]
_cell_length_c [3.4019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(CdHg3)2]
_chemical_formula_sum '[Li2 Cd4 Hg12]'
_cell_volume [445.5164]
_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  0.0000  1
  Cd  Cd1  4  0.1720  0.5000  0.6555  1
  Hg  Hg2  8  0.1595  0.1830  0.1465  1
  Hg  Hg3  4  0.0000  0.3098  0.5000  1
]