data_[K3Ba6Na3I18]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7042]
_cell_length_b [8.7042]
_cell_length_c [23.1729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KBa2NaI6]
_chemical_formula_sum '[K3 Ba6 Na3 I18]'
_cell_volume [1520.4269]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1855  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4814  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9860  1.0
  Na  Na3  3  0.0000  0.0000  0.6796  1.0
  I  I4  9  0.0022  0.7097  0.5860  1.0
  I  I5  9  0.0311  0.3446  0.7489  1.0
]