data_[Li3Cd4Hg4]
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 [P-1]
_cell_length_a [3.1930]
_cell_length_b [5.0707]
_cell_length_c [15.6783]
_cell_angle_alpha [80.9308]
_cell_angle_beta [86.6299]
_cell_angle_gamma [74.1125]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3(CdHg)4]
_chemical_formula_sum '[Li3 Cd4 Hg4]'
_cell_volume [241.0651]
_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  2  0.1507  0.7660  0.7304  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.2073  0.2546  0.4476  1.0
  Cd  Cd3  2  0.4729  0.1803  0.8310  1.0
  Hg  Hg4  2  0.2637  0.3948  0.0880  1.0
  Hg  Hg5  2  0.4335  0.2440  0.6431  1.0
]