data_[Li2Cd2Hg6]
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 [P2_1/m]
_cell_length_a [4.7400]
_cell_length_b [4.7477]
_cell_length_c [10.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCdHg3]
_chemical_formula_sum '[Li2 Cd2 Hg6]'
_cell_volume [223.4115]
_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  0.3456  0.2500  0.6972  1
  Cd  Cd1  2  0.1558  0.2500  0.3074  1
  Hg  Hg2  2  0.0578  0.7500  0.1157  1
  Hg  Hg3  2  0.2538  0.7500  0.5001  1
  Hg  Hg4  2  0.4371  0.7500  0.8889  1
]