data_[K4Ba2Na12]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1697]
_cell_length_b [10.8867]
_cell_length_c [19.1157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K2BaNa6]
_chemical_formula_sum '[K4 Ba2 Na12]'
_cell_volume [867.7463]
_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  0.0000  0.5000  0.3499  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  Na  Na2  8  0.0000  0.3332  0.1668  1.0
  Na  Na3  4  0.0000  0.1805  0.0000  1.0
]