data_[Li10Hg4Pd4]
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 [Amm2]
_cell_length_a [8.2816]
_cell_length_b [4.5108]
_cell_length_c [7.8038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li5(HgPd)2]
_chemical_formula_sum '[Li10 Hg4 Pd4]'
_cell_volume [291.5244]
_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  0.1657  0.0000  0.2059  1.0
  Li  Li1  4  0.3252  0.0000  0.8696  1.0
  Li  Li2  2  0.5000  0.0000  0.5335  1.0
  Hg  Hg3  2  0.0000  0.0000  0.8732  1.0
  Hg  Hg4  2  0.5000  0.0000  0.1989  1.0
  Pd  Pd5  4  0.1721  0.0000  0.5397  1.0
]