data_[Li2Cd10Hg8]
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 [I4]
_cell_length_a [9.1481]
_cell_length_b [9.1481]
_cell_length_c [5.9959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [LiCd5Hg4]
_chemical_formula_sum '[Li2 Cd10 Hg8]'
_cell_volume [501.7877]
_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  0.0000  0.0000  0.7896  1.0
  Cd  Cd1  8  0.0768  0.7105  0.0490  1.0
  Cd  Cd2  2  0.0000  0.0000  0.2779  1.0
  Hg  Hg3  8  0.0885  0.7302  0.5565  1.0
]