data_[Nd20Cu8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.2105]
_cell_length_b [6.7476]
_cell_length_c [7.0586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Cu2]
_chemical_formula_sum '[Nd20 Cu8]'
_cell_volume [815.6658]
_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  8  0.0942  0.1073  0.9401  1.0
  Nd  Nd1  8  0.2191  0.4308  0.2944  1.0
  Nd  Nd2  4  0.0000  0.4358  0.2500  1.0
  Cu  Cu3  8  0.1098  0.3040  0.5647  1.0
]