data_[Li4Hg2Pd16]
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 [14.2016]
_cell_length_b [3.9641]
_cell_length_c [6.3066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2HgPd8]
_chemical_formula_sum '[Li4 Hg2 Pd16]'
_cell_volume [340.9533]
_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  0.2272  0.0000  0.6435  1.0
  Hg  Hg1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0490  0.0000  0.7222  1.0
  Pd  Pd3  4  0.0964  0.5000  0.4616  1.0
  Pd  Pd4  4  0.1431  0.0000  0.1984  1.0
  Pd  Pd5  4  0.1842  0.5000  0.9108  1.0
]