data_[Li20Nd8Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.1872]
_cell_length_b [12.3681]
_cell_length_c [6.0049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li5Nd2Hg3]
_chemical_formula_sum '[Li20 Nd8 Hg12]'
_cell_volume [905.1317]
_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  0.1411  0.1211  0.5000  1.0
  Li  Li1  8  0.2251  0.5000  0.2500  1.0
  Li  Li2  4  0.0000  0.5000  0.2500  1.0
  Nd  Nd3  8  0.1116  0.2303  0.0000  1.0
  Hg  Hg4  8  0.1303  0.3414  0.5000  1.0
  Hg  Hg5  4  0.0000  0.0000  0.2500  1.0
]