data_[K2Ti2As2O8]
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 [P2_1/m]
_cell_length_a [6.4541]
_cell_length_b [5.6709]
_cell_length_c [8.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTiAsO4]
_chemical_formula_sum '[K2 Ti2 As2 O8]'
_cell_volume [298.2483]
_cell_formula_units_Z [2]
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  2  0.2634  0.2500  0.0083  1.0
  Ti  Ti1  2  0.0731  0.7500  0.7247  1.0
  As  As2  2  0.2446  0.7500  0.3627  1.0
  O  O3  4  0.0897  0.5132  0.2405  1.0
  O  O4  2  0.1217  0.7500  0.5232  1.0
  O  O5  2  0.3087  0.7500  0.8860  1.0
]