data_[Nd8Ni8Au4]
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 [C2/c]
_cell_length_a [9.6755]
_cell_length_b [5.4552]
_cell_length_c [7.9299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Ni2Au]
_chemical_formula_sum '[Nd8 Ni8 Au4]'
_cell_volume [403.8134]
_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  8  0.1463  0.3485  0.1476  1.0
  Ni  Ni1  8  0.1434  0.1463  0.5049  1.0
  Au  Au2  4  0.0000  0.1651  0.7500  1.0
]