data_[K4Ba2I2O12]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3333]
_cell_length_b [6.3191]
_cell_length_c [10.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2BaIO6]
_chemical_formula_sum '[K4 Ba2 I2 O12]'
_cell_volume [358.3327]
_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  0.2458  0.5157  0.7488  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  I  I2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1520  0.7363  0.9707  1.0
  O  O4  4  0.2088  0.1854  0.4749  1.0
  O  O5  4  0.2604  0.5118  0.2086  1.0
]