data_[Nd20Ni8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9308]
_cell_length_b [7.9308]
_cell_length_c [13.2066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5Ni2Au]
_chemical_formula_sum '[Nd20 Ni8 Au4]'
_cell_volume [830.6676]
_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
[
  Nd  Nd0  16  0.1627  0.3373  0.6379  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  8  0.1207  0.6207  0.5000  1.0
  Au  Au3  4  0.0000  0.0000  0.2500  1.0
]