data_[Li12Hg3Pd3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4172]
_cell_length_b [4.4172]
_cell_length_c [21.9854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4HgPdAu2]
_chemical_formula_sum '[Li12 Hg3 Pd3 Au6]'
_cell_volume [371.4934]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1279  1.0
  Li  Li1  6  0.0000  0.0000  0.3794  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Au  Au4  6  0.0000  0.0000  0.2460  1.0
]