data_[Li8Nd6Au8]
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 [Immm]
_cell_length_a [3.8483]
_cell_length_b [4.3228]
_cell_length_c [29.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Nd3Au4]
_chemical_formula_sum '[Li8 Nd6 Au8]'
_cell_volume [482.4625]
_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  4  0.0000  0.0000  0.2509  1.0
  Li  Li1  4  0.0000  0.5000  0.4056  1.0
  Nd  Nd2  4  0.0000  0.5000  0.1439  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0000  0.0000  0.4501  1.0
  Au  Au5  4  0.0000  0.5000  0.3134  1.0
]