data_[Ba12Na4Ir2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.0928]
_cell_length_b [10.4579]
_cell_length_c [10.5035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba6Na2IrF]
_chemical_formula_sum '[Ba12 Na4 Ir2 F2]'
_cell_volume [998.7938]
_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
[
  Ba  Ba0  4  0.0000  0.2924  0.2499  1.0
  Ba  Ba1  4  0.2378  0.0000  0.0477  1.0
  Ba  Ba2  4  0.2427  0.0000  0.4607  1.0
  Na  Na3  4  0.0000  0.2093  0.7568  1.0
  Ir  Ir4  2  0.0000  0.0000  0.2470  1.0
  F  F5  2  0.0000  0.5000  0.4087  1.0
]