data_[Li3Mn6Ir3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R3]
_cell_length_a [5.1208]
_cell_length_b [5.1208]
_cell_length_c [14.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiMn2IrO6]
_chemical_formula_sum '[Li3 Mn6 Ir3 O18]'
_cell_volume [322.3071]
_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
[
  Li  Li0  3  0.0000  0.0000  0.1999  1.0
  Mn  Mn1  3  0.0000  0.0000  0.4768  1.0
  Mn  Mn2  3  0.0000  0.0000  0.9916  1.0
  Ir  Ir3  3  0.0000  0.0000  0.6746  1.0
  O  O4  9  0.0148  0.6415  0.2543  1.0
  O  O5  9  0.0293  0.3508  0.7445  1.0
]