data_[Pr16Nd4Y6]
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 [P2_1/m]
_cell_length_a [6.2208]
_cell_length_b [23.3120]
_cell_length_c [6.4044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr8Nd2Y3]
_chemical_formula_sum '[Pr16 Nd4 Y6]'
_cell_volume [921.3054]
_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  0.1224  0.1068  0.2831  1
  Pr  Pr1  4  0.1901  0.1789  0.8039  1
  Pr  Pr2  4  0.3425  0.6635  0.4805  1
  Pr  Pr3  4  0.4105  0.5813  0.9873  1
  Nd  Nd4  4  0.0375  0.0360  0.7571  1
  Y  Y5  2  0.2203  0.2500  0.3080  1
  Y  Y6  2  0.3082  0.7500  0.9775  1
  Y  Y7  2  0.5000  0.0000  0.5000  1
]