data_[Li20Hg4Pd4]
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/c]
_cell_length_a [7.1394]
_cell_length_b [6.6402]
_cell_length_c [10.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5HgPd]
_chemical_formula_sum '[Li20 Hg4 Pd4]'
_cell_volume [471.9842]
_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  0.1629  0.3649  0.5746  1.0
  Li  Li1  8  0.2186  0.3196  0.8755  1.0
  Li  Li2  4  0.0000  0.0375  0.7500  1.0
  Hg  Hg3  4  0.0000  0.3697  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.0000  1.0
]