# generated using pymatgen
data_Ba3LiIrRuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88381726
_cell_length_b   5.88381726
_cell_length_c   14.21346200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiIrRuO9
_chemical_formula_sum   'Ba6 Li2 Ir2 Ru2 O18'
_cell_volume   426.13665477
_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  0.00000000  0.00000000  0.74913300  1
  Ba  Ba1  1  0.00000000  0.00000000  0.24913300  1
  Ba  Ba2  1  0.66666700  0.33333300  0.41560600  1
  Ba  Ba3  1  0.33333300  0.66666700  0.58708900  1
  Ba  Ba4  1  0.33333300  0.66666700  0.91560600  1
  Ba  Ba5  1  0.66666700  0.33333300  0.08708900  1
  Li  Li6  1  0.00000000  0.00000000  0.50125300  1
  Li  Li7  1  0.00000000  0.00000000  0.00125300  1
  Ir  Ir8  1  0.66666700  0.33333300  0.66109000  1
  Ir  Ir9  1  0.33333300  0.66666700  0.16109000  1
  Ru  Ru10  1  0.33333300  0.66666700  0.34226800  1
  Ru  Ru11  1  0.66666700  0.33333300  0.84226800  1
  O  O12  1  0.50883500  0.01767000  0.74884800  1
  O  O13  1  0.50883500  0.49116500  0.74884800  1
  O  O14  1  0.98233000  0.49116500  0.74884800  1
  O  O15  1  0.49116500  0.98233000  0.24884800  1
  O  O16  1  0.49116500  0.50883500  0.24884800  1
  O  O17  1  0.01767000  0.50883500  0.24884800  1
  O  O18  1  0.82378500  0.64757000  0.91354400  1
  O  O19  1  0.82378500  0.17621500  0.91354400  1
  O  O20  1  0.35243000  0.17621500  0.91354400  1
  O  O21  1  0.17630900  0.35261700  0.08547900  1
  O  O22  1  0.17630900  0.82369100  0.08547900  1
  O  O23  1  0.64738300  0.82369100  0.08547900  1
  O  O24  1  0.17621500  0.35243000  0.41354400  1
  O  O25  1  0.17621500  0.82378500  0.41354400  1
  O  O26  1  0.64757000  0.82378500  0.41354400  1
  O  O27  1  0.82369100  0.64738300  0.58547900  1
  O  O28  1  0.82369100  0.17630900  0.58547900  1
  O  O29  1  0.35261700  0.17630900  0.58547900  1
