data_[K4Ba12Na6Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8355]
_cell_length_b [8.6248]
_cell_length_c [7.9093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ba6Na3Ir]
_chemical_formula_sum '[K4 Ba12 Na6 Ir2]'
_cell_volume [1414.5867]
_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  0.2104  0.5000  0.0865  1.0
  Ba  Ba1  8  0.0840  0.2467  0.6713  1.0
  Ba  Ba2  4  0.0886  0.0000  0.2034  1.0
  Na  Na3  4  0.2500  0.2500  0.5000  1.0
  Na  Na4  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir5  2  0.0000  0.0000  0.5000  1.0
]