data_[Li6Hg8Pd4]
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 [8.8958]
_cell_length_b [4.2404]
_cell_length_c [8.8181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(Hg2Pd)2]
_chemical_formula_sum '[Li6 Hg8 Pd4]'
_cell_volume [323.7770]
_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  4  0.1681  0.5000  0.5632  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0145  0.0000  0.3387  1.0
  Hg  Hg3  4  0.1611  0.5000  0.8876  1.0
  Pd  Pd4  4  0.1714  0.5000  0.2242  1.0
]