data_[Li2Cd2Hg5]
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 [5.3261]
_cell_length_b [5.7497]
_cell_length_c [7.7059]
_cell_angle_alpha [104.3061]
_cell_angle_beta [106.2554]
_cell_angle_gamma [103.3328]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Cd2Hg5]
_chemical_formula_sum '[Li2 Cd2 Hg5]'
_cell_volume [207.8128]
_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  0.3951  0.7918  0.7689  1
  Cd  Cd1  2  0.0206  0.1908  0.6779  1
  Hg  Hg2  2  0.2050  0.3962  0.3920  1
  Hg  Hg3  2  0.3665  0.6651  0.1112  1
  Hg  Hg4  1  0.0000  0.0000  0.0000  1
]