data_[Li6Hg8Pd8]
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 [9.6363]
_cell_length_b [3.0018]
_cell_length_c [12.9975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(HgPd)4]
_chemical_formula_sum '[Li6 Hg8 Pd8]'
_cell_volume [375.5534]
_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  0.1757  0.0000  0.2576  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.0587  0.5000  0.8274  1
  Hg  Hg3  4  0.1254  0.5000  0.4386  1
  Pd  Pd4  4  0.1101  0.0000  0.6420  1
  Pd  Pd5  4  0.2091  0.5000  0.0847  1
]