data_[K4Ba2Na4]
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 [P4/mbm]
_cell_length_a [11.0715]
_cell_length_b [11.0715]
_cell_length_c [4.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [K2BaNa2]
_chemical_formula_sum '[K4 Ba2 Na4]'
_cell_volume [561.5065]
_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  0.1676  0.6676  0.5000  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Na  Na2  4  0.1286  0.3714  0.0000  1
]