data_[Nd24Cu8]
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 [I-4]
_cell_length_a [12.1610]
_cell_length_b [12.1610]
_cell_length_c [6.2474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd3Cu]
_chemical_formula_sum '[Nd24 Cu8]'
_cell_volume [923.9199]
_cell_formula_units_Z [8]
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  0.0352  0.6334  0.9812  1.0
  Nd  Nd1  8  0.0767  0.1191  0.7491  1.0
  Nd  Nd2  8  0.1741  0.2245  0.2525  1.0
  Cu  Cu3  8  0.0491  0.7022  0.4841  1.0
]