data_[Nd8In20Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.1803]
_cell_length_b [12.7546]
_cell_length_c [6.3341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2In5Cu3]
_chemical_formula_sum '[Nd8 In20 Cu12]'
_cell_volume [903.2331]
_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  0.2414  0.3647  0.5000  1.0
  In  In1  8  0.0000  0.2431  0.2500  1.0
  In  In2  8  0.1510  0.0999  0.5000  1.0
  In  In3  4  0.0000  0.5000  0.2500  1.0
  Cu  Cu4  8  0.1240  0.3695  0.0000  1.0
  Cu  Cu5  4  0.0000  0.0000  0.2500  1.0
]