data_[K2Ba1Ti1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5823]
_cell_length_b [7.8932]
_cell_length_c [6.0482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2BaTiF8]
_chemical_formula_sum '[K2 Ba1 Ti1 F8]'
_cell_volume [217.7290]
_cell_formula_units_Z [1]
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  0.5000  0.2367  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1106  0.1794  0.8104  1.0
  F  F4  2  0.3537  0.0000  0.1827  1.0
  F  F5  2  0.4933  0.5000  0.7577  1.0
]