data_[K2Ba4Na2F12]
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
  Na  0.9300  1.8000  1.1600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2460]
_cell_length_b [6.8215]
_cell_length_c [10.7691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KBa2NaF6]
_chemical_formula_sum '[K2 Ba4 Na2 F12]'
_cell_volume [381.5707]
_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  0.5000  0.0000  0.0000  1
  Ba  Ba1  4  0.2836  0.0743  0.2636  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.0959  0.0739  0.7343  1
  F  F4  4  0.2660  0.7060  0.5910  1
  F  F5  4  0.3591  0.1667  0.5475  1
]