data_[Li2Nd16Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7003]
_cell_length_b [5.2414]
_cell_length_c [7.1604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Nd4Au)2]
_chemical_formula_sum '[Li2 Nd16 Au4]'
_cell_volume [671.7217]
_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  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.0277  0.0000  0.7720  1.0
  Nd  Nd2  4  0.0910  0.5000  0.4714  1.0
  Nd  Nd3  4  0.1702  0.5000  0.9822  1.0
  Nd  Nd4  4  0.1962  0.0000  0.3288  1.0
  Au  Au5  4  0.1815  0.0000  0.7317  1.0
]