# generated using pymatgen
data_Ba3ErIrRuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94764331
_cell_length_b   5.94764331
_cell_length_c   14.61173600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3ErIrRuO9
_chemical_formula_sum   'Ba6 Er2 Ir2 Ru2 O18'
_cell_volume   447.63322372
_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  0.24988100  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.74988100  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.59168500  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.40589000  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.09168500  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.90589000  1.0
  Er  Er6  1  0.00000000  0.00000000  0.49911800  1.0
  Er  Er7  1  0.00000000  0.00000000  0.99911800  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.33648000  1.0
  Ir  Ir9  1  0.66666700  0.33333300  0.83648000  1.0
  Ru  Ru10  1  0.66666700  0.33333300  0.66234900  1.0
  Ru  Ru11  1  0.33333300  0.66666700  0.16234900  1.0
  O  O12  1  0.48942500  0.51057500  0.24912300  1.0
  O  O13  1  0.48942500  0.97885100  0.24912300  1.0
  O  O14  1  0.02114900  0.51057500  0.24912300  1.0
  O  O15  1  0.51057500  0.48942500  0.74912300  1.0
  O  O16  1  0.51057500  0.02114900  0.74912300  1.0
  O  O17  1  0.97885100  0.48942500  0.74912300  1.0
  O  O18  1  0.17525000  0.82475000  0.08733900  1.0
  O  O19  1  0.17525000  0.35050000  0.08733900  1.0
  O  O20  1  0.64950000  0.82475000  0.08733900  1.0
  O  O21  1  0.82427200  0.17572800  0.91509900  1.0
  O  O22  1  0.82427200  0.64854400  0.91509900  1.0
  O  O23  1  0.35145600  0.17572800  0.91509900  1.0
  O  O24  1  0.82475000  0.17525000  0.58733900  1.0
  O  O25  1  0.82475000  0.64950000  0.58733900  1.0
  O  O26  1  0.35050000  0.17525000  0.58733900  1.0
  O  O27  1  0.17572800  0.82427200  0.41509900  1.0
  O  O28  1  0.17572800  0.35145600  0.41509900  1.0
  O  O29  1  0.64854400  0.82427200  0.41509900  1.0