# generated using pymatgen
data_Ba6Na16Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93265433
_cell_length_b   10.93265506
_cell_length_c   10.93265459
_cell_angle_alpha   109.47121976
_cell_angle_beta   109.47122112
_cell_angle_gamma   109.47122145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Na16Ir
_chemical_formula_sum   'Ba6 Na16 Ir1'
_cell_volume   1005.90043759
_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  1  0.24470278  0.24470278  0.00000000  1.0
  Ba  Ba1  1  0.00000000  0.24470278  0.24470278  1.0
  Ba  Ba2  1  1.00000000  0.75529722  0.75529722  1.0
  Ba  Ba3  1  0.75529722  0.00000000  0.75529722  1.0
  Ba  Ba4  1  0.24470278  1.00000000  0.24470278  1.0
  Ba  Ba5  1  0.75529722  0.75529722  0.00000000  1.0
  Na  Na6  1  0.50000000  0.50000000  0.50000000  1.0
  Na  Na7  1  0.00000000  0.00000000  0.50000000  1.0
  Na  Na8  1  0.50000000  0.00000000  0.00000000  1.0
  Na  Na9  1  0.00000000  0.50000000  0.00000000  1.0
  Na  Na10  1  0.34685968  0.69371836  0.34685968  1.0
  Na  Na11  1  0.65314032  1.00000000  0.34685968  1.0
  Na  Na12  1  0.34685968  0.00000000  0.65314032  1.0
  Na  Na13  1  0.65314032  0.34685968  1.00000000  1.0
  Na  Na14  1  0.34685968  0.34685968  0.69371836  1.0
  Na  Na15  1  0.69371836  0.34685968  0.34685968  1.0
  Na  Na16  1  1.00000000  0.34685968  0.65314032  1.0
  Na  Na17  1  0.30628164  0.65314032  0.65314032  1.0
  Na  Na18  1  0.34685968  0.65314032  0.00000000  1.0
  Na  Na19  1  0.00000000  0.65314032  0.34685968  1.0
  Na  Na20  1  0.65314032  0.65314032  0.30628164  1.0
  Na  Na21  1  0.65314032  0.30628164  0.65314032  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.00000000  1.0