data_[Nd16Hg8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.1054]
_cell_length_b [9.7394]
_cell_length_c [16.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2HgAu3]
_chemical_formula_sum '[Nd16 Hg8 Au24]'
_cell_volume [1153.2608]
_cell_formula_units_Z [8]
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
[
  Nd  Nd0  8  0.2463  0.0000  0.0000  1.0
  Nd  Nd1  8  0.2500  0.2500  0.2500  1.0
  Hg  Hg2  8  0.0000  0.0000  0.3333  1.0
  Au  Au3  16  0.0000  0.2494  0.0831  1.0
  Au  Au4  8  0.0000  0.0000  0.1655  1.0
]