data_[Sc10O12]
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/m]
_cell_length_a [5.4359]
_cell_length_b [9.4017]
_cell_length_c [5.3990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5O6]
_chemical_formula_sum '[Sc10 O12]'
_cell_volume [260.3620]
_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
[
  Sc  Sc0  4  0.0000  0.1585  0.5000  1
  Sc  Sc1  4  0.0000  0.3338  0.0000  1
  Sc  Sc2  2  0.0000  0.5000  0.5000  1
  O  O3  8  0.2392  0.3264  0.7394  1
  O  O4  4  0.2397  0.5000  0.2513  1
]