data_[Li16Hg4Pd2]
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 [14.2037]
_cell_length_b [4.2505]
_cell_length_c [6.5419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Hg2Pd]
_chemical_formula_sum '[Li16 Hg4 Pd2]'
_cell_volume [373.5008]
_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  0.0353  0.0000  0.7471  1.0
  Li  Li1  4  0.0967  0.5000  0.4300  1.0
  Li  Li2  4  0.1403  0.0000  0.1785  1.0
  Li  Li3  4  0.1697  0.5000  0.9039  1.0
  Hg  Hg4  4  0.2136  0.0000  0.6550  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]