data_[Nd12Cu4Pd4]
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 [16.1575]
_cell_length_b [4.0038]
_cell_length_c [8.3404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3CuPd]
_chemical_formula_sum '[Nd12 Cu4 Pd4]'
_cell_volume [538.1517]
_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  0.0591  0.0000  0.3133  1.0
  Nd  Nd1  4  0.0980  0.5000  0.9333  1.0
  Nd  Nd2  4  0.2285  0.0000  0.6780  1.0
  Cu  Cu3  4  0.2162  0.0000  0.0597  1.0
  Pd  Pd4  4  0.0881  0.5000  0.5735  1.0
]