data_[Li6Hg9Pd24]
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 [R-3m]
_cell_length_a [5.4074]
_cell_length_b [5.4074]
_cell_length_c [28.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Hg3Pd8]
_chemical_formula_sum '[Li6 Hg9 Pd24]'
_cell_volume [731.5871]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3439  1
  Hg  Hg1  6  0.0000  0.0000  0.1658  1
  Hg  Hg2  3  0.0000  0.0000  0.0000  1
  Pd  Pd3  18  0.0015  0.5007  0.2501  1
  Pd  Pd4  6  0.0000  0.0000  0.2587  1
]