data_[Li15Cd1Hg4]
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 [P4/mmm]
_cell_length_a [4.3003]
_cell_length_b [4.3003]
_cell_length_c [19.3405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li15CdHg4]
_chemical_formula_sum '[Li15 Cd1 Hg4]'
_cell_volume [357.6550]
_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  4  0.0000  0.5000  0.1032  1
  Li  Li1  4  0.0000  0.5000  0.3002  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Li  Li3  2  0.5000  0.5000  0.2017  1
  Li  Li4  2  0.5000  0.5000  0.3998  1
  Li  Li5  1  0.5000  0.5000  0.0000  1
  Cd  Cd6  1  0.0000  0.0000  0.0000  1
  Hg  Hg7  2  0.0000  0.0000  0.2006  1
  Hg  Hg8  2  0.0000  0.0000  0.4000  1
]