data_[Ba9Mn6Ir3O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8416]
_cell_length_b [5.8416]
_cell_length_c [22.0345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3Mn2IrO9]
_chemical_formula_sum '[Ba9 Mn6 Ir3 O27]'
_cell_volume [651.1854]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.2202  1.0
  Ba  Ba1  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  6  0.0000  0.0000  0.3779  1.0
  Ir  Ir3  3  -0.0000  -0.0000  0.5000  1.0
  O  O4  18  0.0272  0.5136  0.2223  1.0
  O  O5  9  0.0000  0.5000  0.0000  1.0
]