data_[Na4Sc4Ti8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5644]
_cell_length_b [11.0433]
_cell_length_c [6.2725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaScTi2O6]
_chemical_formula_sum '[Na4 Sc4 Ti8 O24]'
_cell_volume [602.3958]
_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
[
  Na  Na0  4  0.0000  0.1070  0.2500  1.0
  Sc  Sc1  4  0.0000  0.1921  0.7500  1.0
  Ti  Ti2  8  0.1500  0.4231  0.1845  1.0
  O  O3  8  0.1005  0.2723  0.0640  1.0
  O  O4  8  0.1154  0.4569  0.4561  1.0
  O  O5  8  0.1388  0.0785  0.6858  1.0
]