data_[Li12Hg2Pd4]
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 [13.5707]
_cell_length_b [7.4183]
_cell_length_c [2.8126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6HgPd2]
_chemical_formula_sum '[Li12 Hg2 Pd4]'
_cell_volume [278.7061]
_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  0.1731  0.1794  0.6522  1.0
  Li  Li1  4  0.0000  0.3397  0.5000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.1543  0.5000  0.1113  1.0
]