data_[K3Na3Ti12P18O72]
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 [R-3]
_cell_length_a [8.5636]
_cell_length_b [8.5636]
_cell_length_c [22.8351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KNaTi4(PO4)6]
_chemical_formula_sum '[K3 Na3 Ti12 P18 O72]'
_cell_volume [1450.2544]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Na  Na1  3  -0.0000  0.0000  0.5000  1
  Ti  Ti2  6  0.0000  0.0000  0.1477  1
  Ti  Ti3  6  0.0000  0.0000  0.3529  1
  P  P4  18  0.0006  0.7169  0.2497  1
  O  O5  18  0.0302  0.1954  0.4065  1
  O  O6  18  0.0306  0.8329  0.9047  1
  O  O7  18  0.0401  0.2033  0.6955  1
  O  O8  18  0.0413  0.8385  0.1955  1
]