data_[K2Ba2Na6]
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 [P2_1/m]
_cell_length_a [8.0277]
_cell_length_b [6.4300]
_cell_length_c [9.6750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBaNa3]
_chemical_formula_sum '[K2 Ba2 Na6]'
_cell_volume [490.9644]
_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  0.2702  0.2500  0.3506  1.0
  Ba  Ba1  2  0.0727  0.2500  0.8607  1.0
  Na  Na2  2  0.1851  0.7500  0.5725  1.0
  Na  Na3  2  0.3905  0.7500  0.9231  1.0
  Na  Na4  2  0.4747  0.7500  0.2738  1.0
]