data_[K4Sc16O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1500]
_cell_length_b [10.5916]
_cell_length_c [16.7660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KSc4O6]
_chemical_formula_sum '[K4 Sc16 O24]'
_cell_volume [559.3709]
_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
[
  K  K0  4  0.0000  0.3562  0.7500  1
  Sc  Sc1  8  0.0000  0.1285  0.0432  1
  Sc  Sc2  8  0.0000  0.3940  0.1375  1
  O  O3  8  0.0000  0.0225  0.1431  1
  O  O4  8  0.0000  0.2274  0.5767  1
  O  O5  4  0.0000  0.3411  0.2500  1
  O  O6  4  0.0000  0.5000  0.0000  1
]