data_[Na3Ag6Ir3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1428]
_cell_length_b [7.1428]
_cell_length_c [18.6177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaAg2IrBr6]
_chemical_formula_sum '[Na3 Ag6 Ir3 Br18]'
_cell_volume [822.6003]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1895  1
  Ag  Ag1  3  0.0000  0.0000  0.4553  1
  Ag  Ag2  3  0.0000  0.0000  0.9885  1
  Ir  Ir3  3  0.0000  0.0000  0.6738  1
  Br  Br4  9  0.0049  0.7210  0.5935  1
  Br  Br5  9  0.0200  0.3022  0.7505  1
]