data_[Nd24Cd2Ni12]
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 [Im-3]
_cell_length_a [10.0788]
_cell_length_b [10.0788]
_cell_length_c [10.0788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Nd12CdNi6]
_chemical_formula_sum '[Nd24 Cd2 Ni12]'
_cell_volume [1023.8237]
_cell_formula_units_Z [2]
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  24  0.0000  0.1859  0.3063  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  12  0.0000  0.3787  0.5000  1.0
]