data_[K4Ti2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0638]
_cell_length_b [6.8060]
_cell_length_c [9.6418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2TiF6]
_chemical_formula_sum '[K4 Ti2 F12]'
_cell_volume [338.6035]
_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  4  0.2131  0.0759  0.7571  1.0
  Ti  Ti1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.2001  0.1367  0.4626  1.0
  F  F3  4  0.3085  0.7380  0.9339  1.0
  F  F4  4  0.4024  0.0519  0.2828  1.0
]