data_[Pr1Nd4Y1]
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 [Pmmm]
_cell_length_a [3.6370]
_cell_length_b [5.2329]
_cell_length_c [10.9310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PrNd4Y]
_chemical_formula_sum '[Pr1 Nd4 Y1]'
_cell_volume [208.0387]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.3350  1.0
  Nd  Nd2  2  0.5000  0.5000  0.1691  1.0
  Y  Y3  1  0.5000  0.5000  0.5000  1.0
]