data_[K4Na4Ti8P8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [12.9132]
_cell_length_b [6.3889]
_cell_length_c [10.7210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KNaTi2(PO5)2]
_chemical_formula_sum '[K4 Na4 Ti8 P8 O40]'
_cell_volume [884.4876]
_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  0.0964  0.1721  0.5743  1
  Na  Na1  4  0.1614  0.7630  0.2909  1
  Ti  Ti2  4  0.1284  0.4941  0.0151  1
  Ti  Ti3  4  0.2445  0.7605  0.7669  1
  P  P4  4  0.0046  0.3420  0.2773  1
  P  P5  4  0.1846  0.0005  0.0252  1
  O  O6  4  0.0078  0.5321  0.9013  1
  O  O7  4  0.0187  0.4974  0.1695  1
  O  O8  4  0.0932  0.7978  0.7552  1
  O  O9  4  0.1000  0.1944  0.2938  1
  O  O10  4  0.1123  0.1891  0.0041  1
  O  O11  4  0.1174  0.8066  0.0540  1
  O  O12  4  0.2247  0.5325  0.8989  1
  O  O13  4  0.2259  0.4623  0.1548  1
  O  O14  4  0.2436  0.5318  0.6407  1
  O  O15  4  0.2456  0.4689  0.4090  1
]