data_[K4Ti8As4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3526]
_cell_length_b [10.1919]
_cell_length_c [6.2752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTi2AsO6]
_chemical_formula_sum '[K4 Ti8 As4 O24]'
_cell_volume [682.3319]
_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  0.1063  0.2500  1.0
  Ti  Ti1  8  0.2333  0.4055  0.2046  1.0
  As  As2  4  0.0000  0.2799  0.7500  1.0
  O  O3  8  0.1018  0.1589  0.6887  1.0
  O  O4  8  0.1201  0.2821  0.0917  1.0
  O  O5  8  0.2204  0.4827  0.4671  1.0
]