data_[Pr4Sc8O16]
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 [Cmcm]
_cell_length_a [3.2112]
_cell_length_b [10.5399]
_cell_length_c [10.5970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrSc2O4]
_chemical_formula_sum '[Pr4 Sc8 O16]'
_cell_volume [358.6640]
_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  0.3815  0.2500  1.0
  Sc  Sc1  8  0.0000  0.1307  0.0677  1.0
  O  O2  8  0.0000  0.2307  0.6090  1.0
  O  O3  4  0.0000  0.0539  0.2500  1.0
  O  O4  4  0.0000  0.5000  0.0000  1.0
]