data_[Nd9Cu3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0182]
_cell_length_b [5.0182]
_cell_length_c [24.7877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3CuNi8]
_chemical_formula_sum '[Nd9 Cu3 Ni24]'
_cell_volume [540.5895]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0112  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4923  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6220  1.0
  Cu  Cu3  3  0.0000  0.0000  0.1322  1.0
  Ni  Ni4  9  0.1683  0.3367  0.3968  1.0
  Ni  Ni5  9  0.1688  0.3376  0.8929  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3121  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8111  1.0
]