data_[K8Ti2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4594]
_cell_length_b [6.4916]
_cell_length_c [9.6578]
_cell_angle_alpha [72.2188]
_cell_angle_beta [80.1795]
_cell_angle_gamma [66.9890]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K4TiO4]
_chemical_formula_sum '[K8 Ti2 O8]'
_cell_volume [354.3364]
_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  0.2276  0.4839  0.5640  1.0
  K  K1  2  0.2500  0.2309  0.9733  1.0
  K  K2  2  0.2528  0.5866  0.1621  1.0
  K  K3  2  0.2732  0.0404  0.3833  1.0
  Ti  Ti4  2  0.2291  0.8430  0.7527  1.0
  O  O5  2  0.0502  0.6636  0.8083  1.0
  O  O6  2  0.0530  0.1413  0.6558  1.0
  O  O7  2  0.3718  0.8349  0.9054  1.0
  O  O8  2  0.4537  0.7119  0.6247  1.0
]