data_[Li2Cd6In4Hg12]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4642]
_cell_length_b [10.9726]
_cell_length_c [8.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCd3(InHg3)2]
_chemical_formula_sum '[Li2 Cd6 In4 Hg12]'
_cell_volume [608.8433]
_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  1.0
  Cd  Cd1  4  0.0000  0.1897  0.5000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.0000  0.3417  0.0000  1.0
  Hg  Hg4  8  0.2278  0.1561  0.2406  1.0
  Hg  Hg5  4  0.2211  0.0000  0.7386  1.0
]