data_[Ba8Na1Ir1Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7550]
_cell_length_b [9.8670]
_cell_length_c [7.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8NaIrAu2]
_chemical_formula_sum '[Ba8 Na1 Ir1 Au2]'
_cell_volume [610.4677]
_cell_formula_units_Z [1]
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  4  0.2391  0.2145  0.1677  1.0
  Ba  Ba1  2  0.2448  0.0000  0.6881  1.0
  Ba  Ba2  2  0.2780  0.5000  0.6376  1.0
  Na  Na3  1  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  2  0.5000  0.2390  0.5000  1.0
]