data_[Pr8Nd2Y6]
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 [Pmn2_1]
_cell_length_a [11.8630]
_cell_length_b [7.3683]
_cell_length_c [6.4000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4NdY3]
_chemical_formula_sum '[Pr8 Nd2 Y6]'
_cell_volume [559.4175]
_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  0.2473  0.1252  0.5198  1.0
  Pr  Pr1  2  0.0000  0.1291  0.8550  1.0
  Pr  Pr2  2  0.0000  0.8726  0.3456  1.0
  Nd  Nd3  2  0.0000  0.6253  0.8515  1.0
  Y  Y4  4  0.2500  0.3787  0.0201  1.0
  Y  Y5  2  0.0000  0.3786  0.3531  1.0
]