data_[Nd4Cu4Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4182]
_cell_length_b [4.4491]
_cell_length_c [7.1517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdCuPd]
_chemical_formula_sum '[Nd4 Cu4 Pd4]'
_cell_volume [245.2182]
_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  0.0408  0.5000  0.7920  1.0
  Cu  Cu1  4  0.1552  0.0000  0.6038  1.0
  Pd  Pd2  4  0.1731  0.0000  0.2214  1.0
]