data_[Nd13Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7910]
_cell_length_b [8.6830]
_cell_length_c [9.6033]
_cell_angle_alpha [64.2504]
_cell_angle_beta [81.1877]
_cell_angle_gamma [80.2428]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd13Au2]
_chemical_formula_sum '[Nd13 Au2]'
_cell_volume [500.6386]
_cell_formula_units_Z [1]
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  2  0.0357  0.2162  0.3363  1.0
  Nd  Nd1  2  0.1857  0.6416  0.3631  1.0
  Nd  Nd2  2  0.2417  0.5853  0.0160  1.0
  Nd  Nd3  2  0.2810  0.3608  0.7798  1.0
  Nd  Nd4  2  0.4379  0.0514  0.1580  1.0
  Nd  Nd5  2  0.4853  0.7657  0.5699  1.0
  Nd  Nd6  1  0.0000  0.0000  0.0000  1.0
  Au  Au7  2  0.1755  0.0595  0.6732  1.0
]