data_Ba3NaIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   14.87
_cell_angle_alpha   91.1
_cell_angle_beta   91.1
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3NaIr2O9
_chemical_formula_sum   'Ba6 Na2 Ir4 O18'
_cell_volume   458.35
_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  1  0.98  0.29  0.26  1.0
  Ba  Ba1  1  0.85  0.14  0.72  1.0
  Ba  Ba2  1  0.72  0.29  0.17  1.0
  Ba  Ba3  1  0.43  0.71  0.6  1.0
  Ba  Ba4  1  0.56  0.86  0.15  1.0
  Ba  Ba5  1  0.69  0.71  0.69  1.0
  Na  Na6  1  0.71  0.0  0.43  1.0
  Na  Na7  1  0.0  0.0  0.0  1.0
  Ir  Ir8  1  0.7  0.73  0.09  1.0
  Ir  Ir9  1  0.41  0.27  0.52  1.0
  Ir  Ir10  1  0.71  0.27  0.77  1.0
  Ir  Ir11  1  1.0  0.73  0.34  1.0
  O  O12  1  0.22  0.05  0.89  1.0
  O  O13  1  0.91  0.05  0.41  1.0
  O  O14  1  0.19  0.95  0.98  1.0
  O  O15  1  0.5  0.95  0.46  1.0
  O  O16  1  0.13  0.36  0.35  1.0
  O  O17  1  0.57  0.36  0.08  1.0
  O  O18  1  0.28  0.64  0.51  1.0
  O  O19  1  0.84  0.64  0.78  1.0
  O  O20  1  0.74  0.95  0.14  1.0
  O  O21  1  0.96  0.95  0.29  1.0
  O  O22  1  0.67  0.05  0.72  1.0
  O  O23  1  0.45  0.05  0.57  1.0
  O  O24  1  0.89  0.51  0.3  1.0
  O  O25  1  0.24  0.51  0.99  1.0
  O  O26  1  0.52  0.49  0.56  1.0
  O  O27  1  0.17  0.49  0.87  1.0
  O  O28  1  0.56  0.81  0.15  1.0
  O  O29  1  0.85  0.19  0.72  1.0

data_Ba3NaIr2O9
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   14.87
_cell_angle_alpha   91.1
_cell_angle_beta   91.1
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3NaIr2O9
_chemical_formula_sum   'Ba6 Na2 Ir4 O18'
_cell_volume   458.35
_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  1  0.43  0.71  0.6  1.0
  Ba  Ba1  1  0.56  0.86  0.15  1.0
  Ba  Ba2  1  0.69  0.71  0.69  1.0
  Ba  Ba3  1  0.72  0.29  0.17  1.0
  Ba  Ba4  1  0.85  0.14  0.72  1.0
  Ba  Ba5  1  0.98  0.29  0.26  1.0
  Na  Na6  1  0.0  0.0  0.0  1.0
  Na  Na7  1  0.71  0.0  0.43  1.0
  Ir  Ir8  1  0.41  0.27  0.52  1.0
  Ir  Ir9  1  0.7  0.73  0.09  1.0
  Ir  Ir10  1  0.71  0.27  0.77  1.0
  Ir  Ir11  1  1.0  0.73  0.34  1.0
  O  O12  1  0.13  0.36  0.35  1.0
  O  O13  1  0.17  0.49  0.87  1.0
  O  O14  1  0.19  0.95  0.98  1.0
  O  O15  1  0.22  0.05  0.89  1.0
  O  O16  1  0.24  0.51  0.99  1.0
  O  O17  1  0.28  0.64  0.51  1.0
  O  O18  1  0.45  0.05  0.57  1.0
  O  O19  1  0.5  0.95  0.46  1.0
  O  O20  1  0.52  0.49  0.56  1.0
  O  O21  1  0.56  0.81  0.15  1.0
  O  O22  1  0.57  0.36  0.08  1.0
  O  O23  1  0.67  0.05  0.72  1.0
  O  O24  1  0.74  0.95  0.14  1.0
  O  O25  1  0.84  0.64  0.78  1.0
  O  O26  1  0.85  0.19  0.72  1.0
  O  O27  1  0.89  0.51  0.3  1.0
  O  O28  1  0.91  0.05  0.41  1.0
  O  O29  1  0.96  0.95  0.29  1.0

Ba Ba Ba Ba Ba Ba Na Na Ir Ir Ir Ir O O O O O O O O O O O O O O O O O O