data_[Li24Hg4Pd12]
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 [Cmc2_1]
_cell_length_a [8.0476]
_cell_length_b [15.6088]
_cell_length_c [5.0130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6HgPd3]
_chemical_formula_sum '[Li24 Hg4 Pd12]'
_cell_volume [629.6992]
_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  0.1771  0.2771  0.1831  1.0
  Li  Li1  8  0.1915  0.4513  0.9410  1.0
  Li  Li2  4  0.0000  0.0025  0.7317  1.0
  Li  Li3  4  0.0000  0.3141  0.7189  1.0
  Hg  Hg4  4  0.0000  0.1560  0.4870  1.0
  Pd  Pd5  8  0.1754  0.1189  0.9901  1.0
  Pd  Pd6  4  0.0000  0.4144  0.3485  1.0
]