data_[Li1Ce1Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.7787]
_cell_length_b [6.7787]
_cell_length_c [6.1419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [LiCeHgCl6]
_chemical_formula_sum '[Li1 Ce1 Hg1 Cl6]'
_cell_volume [244.4100]
_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  0.3333  0.6667  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  1  0.6667  0.3333  0.0000  1.0
  Cl  Cl3  6  0.0164  0.3456  0.7435  1.0
]