data_[K6Ba12Na4Ir2]
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 [10.0572]
_cell_length_b [14.1609]
_cell_length_c [10.4714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ba6Na2Ir]
_chemical_formula_sum '[K6 Ba12 Na4 Ir2]'
_cell_volume [1470.5038]
_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  0.0000  0.2136  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba2  8  0.1790  0.1527  0.1515  1.0
  Ba  Ba3  4  0.1796  0.0000  0.7898  1.0
  Na  Na4  4  0.0000  0.3831  0.0000  1.0
  Ir  Ir5  2  0.0000  0.0000  0.0000  1.0
]