data_[Pr16Nd8Y12]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5498]
_cell_length_b [12.0254]
_cell_length_c [6.3000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4Nd2Y3]
_chemical_formula_sum '[Pr16 Nd8 Y12]'
_cell_volume [1245.5252]
_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  0.0489  0.1402  0.5152  1.0
  Pr  Pr1  8  0.2151  0.3600  0.3486  1.0
  Nd  Nd2  8  0.1174  0.3608  0.8180  1.0
  Y  Y3  8  0.1670  0.1036  0.0818  1.0
  Y  Y4  4  0.0000  0.3970  0.2500  1.0
]