data_[Nd3Cd9Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9511]
_cell_length_b [4.9511]
_cell_length_c [24.3622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdCd3Ni8]
_chemical_formula_sum '[Nd3 Cd9 Ni24]'
_cell_volume [517.1867]
_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  0.8763  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0042  1.0
  Cd  Cd2  3  0.0000  0.0000  0.3732  1.0
  Cd  Cd3  3  0.0000  0.0000  0.4928  1.0
  Ni  Ni4  9  0.0009  0.5004  0.9397  1.0
  Ni  Ni5  9  0.1683  0.3366  0.7697  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1874  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6879  1.0
]