data_[K4Ba8Na8]
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 [Imma]
_cell_length_a [4.6291]
_cell_length_b [6.9676]
_cell_length_c [36.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K(BaNa)2]
_chemical_formula_sum '[K4 Ba8 Na8]'
_cell_volume [1166.4846]
_cell_formula_units_Z [4]
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  0.2500  0.5821  1.0
  Ba  Ba1  4  0.0000  0.2500  0.2985  1.0
  Ba  Ba2  4  0.0000  0.2500  0.8025  1.0
  Na  Na3  4  0.0000  0.2500  0.0163  1.0
  Na  Na4  4  0.0000  0.2500  0.1129  1.0
]