data_[Sc20O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [14.2889]
_cell_length_b [5.5686]
_cell_length_c [6.1424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5O2]
_chemical_formula_sum '[Sc20 O8]'
_cell_volume [472.8446]
_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
[
  Sc  Sc0  8  0.1023  0.0734  0.4634  1.0
  Sc  Sc1  8  0.2025  0.4319  0.1387  1.0
  Sc  Sc2  4  0.0000  0.4061  0.7500  1.0
  O  O3  8  0.1515  0.2534  0.8052  1.0
]