data_[Pr24Nd4Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.5455]
_cell_length_b [13.4646]
_cell_length_c [7.2789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6NdNi3]
_chemical_formula_sum '[Pr24 Nd4 Ni12]'
_cell_volume [1131.5451]
_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
[
  Pr  Pr0  8  0.1677  0.4592  0.6725  1
  Pr  Pr1  8  0.2247  0.1923  0.8187  1
  Pr  Pr2  4  0.0000  0.0340  0.1577  1
  Pr  Pr3  4  0.0000  0.2271  0.5052  1
  Nd  Nd4  4  0.0000  0.3261  0.0448  1
  Ni  Ni5  8  0.1903  0.0978  0.4602  1
  Ni  Ni6  4  0.0000  0.4226  0.3748  1
]