data_[Rb12Sc4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.5574]
_cell_length_b [12.0745]
_cell_length_c [7.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3ScO3]
_chemical_formula_sum '[Rb12 Sc4 O12]'
_cell_volume [637.9422]
_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
[
  Rb  Rb0  4  0.0000  0.2025  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2618  0.0000  1.0
  Rb  Rb2  4  0.1353  0.5000  0.3531  1.0
  Sc  Sc3  4  0.1690  0.0000  0.1483  1.0
  O  O4  8  0.2066  0.3663  0.7341  1.0
  O  O5  4  0.1017  0.0000  0.8537  1.0
]