data_[Li16Hg2Pd4]
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/m]
_cell_length_a [7.4231]
_cell_length_b [11.6052]
_cell_length_c [4.7725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8HgPd2]
_chemical_formula_sum '[Li16 Hg2 Pd4]'
_cell_volume [386.4926]
_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  8  0.1966  0.1257  0.1021  1.0
  Li  Li1  4  0.0000  0.2371  0.5000  1.0
  Li  Li2  4  0.1143  0.5000  0.3072  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  4  0.0000  0.3168  0.0000  1.0
]