data_[Pr8Sc8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0358]
_cell_length_b [5.7601]
_cell_length_c [9.9404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrScO3]
_chemical_formula_sum '[Pr8 Sc8 O24]'
_cell_volume [539.3836]
_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  8  0.1374  0.2914  0.1355  1
  Sc  Sc1  4  0.0000  0.2311  0.7500  1
  Sc  Sc2  4  0.2500  0.2500  0.5000  1
  O  O3  8  0.0699  0.2726  0.5701  1
  O  O4  8  0.1509  0.0270  0.3311  1
  O  O5  8  0.1645  0.4719  0.8560  1
]