data_[Li8Hg12Pd12]
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 [Cmcm]
_cell_length_a [4.2633]
_cell_length_b [9.6829]
_cell_length_c [13.6143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(HgPd)3]
_chemical_formula_sum '[Li8 Hg12 Pd12]'
_cell_volume [562.0123]
_cell_formula_units_Z [4]
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  0.0000  0.2270  0.1398  1.0
  Hg  Hg1  8  0.0000  0.3665  0.5514  1.0
  Hg  Hg2  4  0.0000  0.4635  0.2500  1.0
  Pd  Pd3  8  0.0000  0.0738  0.5906  1.0
  Pd  Pd4  4  0.0000  0.2481  0.7500  1.0
]