data_[K4Sc4Si8O24]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4382]
_cell_length_b [11.4369]
_cell_length_c [5.4407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSc(SiO3)2]
_chemical_formula_sum '[K4 Sc4 Si8 O24]'
_cell_volume [616.9834]
_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  0.0935  0.2500  1.0
  Sc  Sc1  4  0.0000  0.2479  0.7500  1.0
  Si  Si2  8  0.2092  0.4209  0.1900  1.0
  O  O3  8  0.0959  0.3209  0.0827  1.0
  O  O4  8  0.1355  0.1284  0.7292  1.0
  O  O5  8  0.1938  0.4807  0.4574  1.0
]