data_[Ba16Na4Ir4]
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/c]
_cell_length_a [10.5435]
_cell_length_b [14.8408]
_cell_length_c [7.6829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4NaIr]
_chemical_formula_sum '[Ba16 Na4 Ir4]'
_cell_volume [1140.2451]
_cell_formula_units_Z [4]
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  0.0984  0.1559  0.0473  1.0
  Ba  Ba1  8  0.2411  0.4219  0.3869  1.0
  Na  Na2  4  0.0000  0.3725  0.7500  1.0
  Ir  Ir3  4  0.0000  0.0007  0.7500  1.0
]