data_[Pr4Y24Sc12]
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 [Cmc2_1]
_cell_length_a [10.2603]
_cell_length_b [18.8951]
_cell_length_c [6.2893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr(Y2Sc)3]
_chemical_formula_sum '[Pr4 Y24 Sc12]'
_cell_volume [1219.2946]
_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  0.2121  0.7147  1
  Y  Y1  8  0.1711  0.4659  0.0231  1
  Y  Y2  8  0.2280  0.2025  0.3574  1
  Y  Y3  4  0.0000  0.0443  0.3456  1
  Y  Y4  4  0.0000  0.3161  0.1780  1
  Sc  Sc5  8  0.1952  0.1152  0.9233  1
  Sc  Sc6  4  0.0000  0.3850  0.6395  1
]