data_[K1Ba3Na8]
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 [P3m1]
_cell_length_a [7.2657]
_cell_length_b [7.2657]
_cell_length_c [12.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [KBa3Na8]
_chemical_formula_sum '[K1 Ba3 Na8]'
_cell_volume [557.0681]
_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  1  0.0000  0.0000  0.4368  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0563  1.0
  Ba  Ba2  1  0.6667  0.3333  0.5680  1.0
  Ba  Ba3  1  0.6667  0.3333  0.9387  1.0
  Na  Na4  3  0.1643  0.8357  0.7527  1.0
  Na  Na5  3  0.5025  0.0050  0.2472  1.0
  Na  Na6  1  0.3333  0.6667  0.5008  1.0
  Na  Na7  1  0.3333  0.6667  0.9994  1.0
]