data_[K16Ba2]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [15.1536]
_cell_length_b [15.1536]
_cell_length_c [5.6902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K8Ba]
_chemical_formula_sum '[K16 Ba2]'
_cell_volume [1306.6657]
_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  8  0.0000  0.3306  0.0000  1.0
  K  K1  8  0.1692  0.1692  0.5000  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
]