data_[Pr12Nd4Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [10.3259]
_cell_length_b [10.5890]
_cell_length_c [5.5824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Pr6Nd2Al]
_chemical_formula_sum '[Pr12 Nd4 Al2]'
_cell_volume [610.3857]
_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
[
  Pr  Pr0  4  0.0248  0.1885  0.0000  1.0
  Pr  Pr1  4  0.1327  0.6068  0.5000  1.0
  Pr  Pr2  4  0.1883  0.9394  0.5000  1.0
  Nd  Nd3  4  0.2022  0.2617  0.5000  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
]