data_[Li20Cu4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7092]
_cell_length_b [7.1652]
_cell_length_c [9.9754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5CuHg]
_chemical_formula_sum '[Li20 Cu4 Hg4]'
_cell_volume [465.6501]
_cell_formula_units_Z [4]
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  8  0.1432  0.3577  0.0572  1.0
  Li  Li1  8  0.2238  0.2847  0.3636  1.0
  Li  Li2  4  0.0000  0.0112  0.7500  1.0
  Cu  Cu3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4012  0.7500  1.0
]