data_[Pr4Nd12Y6]
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/m]
_cell_length_a [6.2797]
_cell_length_b [10.8913]
_cell_length_c [11.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2(Nd2Y)3]
_chemical_formula_sum '[Pr4 Nd12 Y6]'
_cell_volume [800.8460]
_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  0.0000  0.1666  0.5000  1
  Nd  Nd1  8  0.2498  0.6660  0.7516  1
  Nd  Nd2  4  0.2486  0.5000  0.2487  1
  Y  Y3  4  0.0000  0.3345  0.0000  1
  Y  Y4  2  0.0000  0.0000  0.0000  1
]