data_[Nd4Ni2Au2]
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 [P2_1/m]
_cell_length_a [5.8350]
_cell_length_b [4.5473]
_cell_length_c [7.9213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2NiAu]
_chemical_formula_sum '[Nd4 Ni2 Au2]'
_cell_volume [196.0382]
_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
[
  Nd  Nd0  2  0.2139  0.7500  0.9345  1.0
  Nd  Nd1  2  0.2315  0.7500  0.4254  1.0
  Ni  Ni2  2  0.3445  0.2500  0.2103  1.0
  Au  Au3  2  0.3397  0.2500  0.7128  1.0
]