data_[Nd4Cu2Au2]
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 [P2_1/m]
_cell_length_a [5.9231]
_cell_length_b [4.6801]
_cell_length_c [7.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2CuAu]
_chemical_formula_sum '[Nd4 Cu2 Au2]'
_cell_volume [201.2895]
_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  0.2148  0.7500  0.9271  1.0
  Nd  Nd1  2  0.2293  0.7500  0.4276  1.0
  Cu  Cu2  2  0.3513  0.2500  0.2064  1.0
  Au  Au3  2  0.3433  0.2500  0.7120  1.0
]