data_[Li8Hg12Pd16]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0587]
_cell_length_b [10.7110]
_cell_length_c [5.1310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Hg3Pd4]
_chemical_formula_sum '[Li8 Hg12 Pd16]'
_cell_volume [643.2384]
_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  0.1687  0.3190  0.0657  1.0
  Hg  Hg1  8  0.1102  0.1983  0.5182  1.0
  Hg  Hg2  4  0.0000  0.4460  0.2500  1.0
  Pd  Pd3  8  0.0976  0.0693  0.9813  1.0
  Pd  Pd4  8  0.2087  0.4379  0.6158  1.0
]