data_[Ba12Na6Ir2Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8492]
_cell_length_b [13.6611]
_cell_length_c [10.6383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Na3IrPd2]
_chemical_formula_sum '[Ba12 Na6 Ir2 Pd4]'
_cell_volume [1101.8173]
_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  0.2198  0.8390  0.1679  1
  Ba  Ba1  4  0.2375  0.5000  0.1706  1
  Na  Na2  4  0.0000  0.1773  0.5000  1
  Na  Na3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  4  0.0000  0.3340  0.0000  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
]