data_[Nd4Cu4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5056]
_cell_length_b [4.4434]
_cell_length_c [7.1473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdCuAu]
_chemical_formula_sum '[Nd4 Cu4 Au4]'
_cell_volume [253.0416]
_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  4  0.0411  0.5000  0.2891  1.0
  Cu  Cu1  4  0.1487  0.0000  0.6918  1.0
  Au  Au2  4  0.1772  0.0000  0.1290  1.0
]