data_[Pr2Nd6Y8]
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 [11.7189]
_cell_length_b [7.3544]
_cell_length_c [6.3880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrNd3Y4]
_chemical_formula_sum '[Pr2 Nd6 Y8]'
_cell_volume [550.5514]
_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  2  0.0000  0.6263  0.8507  1.0
  Nd  Nd1  4  0.2499  0.3730  0.0199  1.0
  Nd  Nd2  2  0.0000  0.3734  0.3513  1.0
  Y  Y3  4  0.2497  0.1219  0.5188  1.0
  Y  Y4  2  0.0000  0.1217  0.8527  1.0
  Y  Y5  2  0.0000  0.8782  0.3526  1.0
]