data_[Ba16Na4Ir2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6909]
_cell_length_b [8.7710]
_cell_length_c [7.3963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Na2Ir]
_chemical_formula_sum '[Ba16 Na4 Ir2]'
_cell_volume [1257.9729]
_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  8  0.0636  0.2474  0.8252  1
  Ba  Ba1  4  0.1291  0.0000  0.3608  1
  Ba  Ba2  4  0.1475  0.5000  0.4118  1
  Na  Na3  4  0.2477  0.0000  0.9780  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]