data_[Li6Hg8Pd8]
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 [9.6021]
_cell_length_b [3.0010]
_cell_length_c [13.1465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(HgPd)4]
_chemical_formula_sum '[Li6 Hg8 Pd8]'
_cell_volume [378.2416]
_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  0.1718  0.0000  0.2575  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0627  0.5000  0.8273  1.0
  Hg  Hg3  4  0.1299  0.5000  0.4389  1.0
  Pd  Pd4  4  0.1061  0.0000  0.6423  1.0
  Pd  Pd5  4  0.2053  0.5000  0.0840  1.0
]