data_[Pr6Y16Sc2]
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 [I-42m]
_cell_length_a [8.7733]
_cell_length_b [8.7733]
_cell_length_c [11.3975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pr3Y8Sc]
_chemical_formula_sum '[Pr6 Y16 Sc2]'
_cell_volume [877.2814]
_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  0.0000  0.5000  0.2500  1
  Pr  Pr1  2  0.0000  0.0000  0.5000  1
  Y  Y2  8  0.1257  0.1257  0.7607  1
  Y  Y3  8  0.2330  0.7670  0.9743  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]