data_[Pr4Nd4Y16]
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/c]
_cell_length_a [10.8894]
_cell_length_b [6.2871]
_cell_length_c [12.2775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrNdY4]
_chemical_formula_sum '[Pr4 Nd4 Y16]'
_cell_volume [803.4519]
_cell_formula_units_Z [4]
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  0.0810  0.7500  1.0
  Nd  Nd1  4  0.2500  0.2500  0.0000  1.0
  Y  Y2  8  0.0840  0.2516  0.5001  1.0
  Y  Y3  8  0.1662  0.4168  0.2499  1.0
]