data_[Pr32Y16Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.9828]
_cell_length_b [24.2686]
_cell_length_c [6.4620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Pr4Y2Sc]
_chemical_formula_sum '[Pr32 Y16 Sc8]'
_cell_volume [1879.1832]
_cell_formula_units_Z [8]
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  16  0.0503  0.4304  0.6304  1
  Pr  Pr1  16  0.0717  0.3572  0.0956  1
  Y  Y2  16  0.0238  0.2835  0.5793  1
  Sc  Sc3  8  0.0000  0.0000  0.6331  1
]