data_[Nd1Cu8Pd3]
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 [P3m1]
_cell_length_a [4.9479]
_cell_length_b [4.9479]
_cell_length_c [8.1043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NdCu8Pd3]
_chemical_formula_sum '[Nd1 Cu8 Pd3]'
_cell_volume [171.8237]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5666  1
  Cu  Cu1  3  0.1650  0.3300  0.2390  1
  Cu  Cu2  3  0.5034  0.0068  0.7636  1
  Cu  Cu3  1  0.3333  0.6667  0.4978  1
  Cu  Cu4  1  0.3333  0.6667  0.9988  1
  Pd  Pd5  1  0.0000  0.0000  0.9460  1
  Pd  Pd6  1  0.6667  0.3333  0.0642  1
  Pd  Pd7  1  0.6667  0.3333  0.4189  1
]