data_[Na3Cd3Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7745]
_cell_length_b [6.7745]
_cell_length_c [4.8100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [NaCdIr]
_chemical_formula_sum '[Na3 Cd3 Ir3]'
_cell_volume [191.1771]
_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  0.5570  0.0000  1
  Cd  Cd1  2  0.3333  0.6667  0.5000  1
  Cd  Cd2  1  0.0000  0.0000  0.0000  1
  Ir  Ir3  3  0.0000  0.2212  0.5000  1
]