data_[Li1Cd2Hg1]
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 [Pm]
_cell_length_a [3.1624]
_cell_length_b [4.6045]
_cell_length_c [6.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiCd2Hg]
_chemical_formula_sum '[Li1 Cd2 Hg1]'
_cell_volume [88.0768]
_cell_formula_units_Z [1]
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  1  0.5877  0.5000  0.2889  1.0
  Cd  Cd1  1  0.3239  0.5000  0.7709  1.0
  Cd  Cd2  1  0.9226  0.0000  0.9801  1.0
  Hg  Hg3  1  0.1658  0.0000  0.4600  1.0
]