# generated using pymatgen
data_Ba6Ca2Ir3RuO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97797097
_cell_length_b   5.97797097
_cell_length_c   14.65349000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Ca2Ir3RuO18
_chemical_formula_sum   'Ba6 Ca2 Ir3 Ru1 O18'
_cell_volume   453.50205582
_cell_formula_units_Z   1
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  0.58998100  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.40927800  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.09080800  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.91112300  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.75002100  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.24948100  1.0
  Ca  Ca6  1  0.33333300  0.66666700  0.50031400  1.0
  Ca  Ca7  1  0.33333300  0.66666700  0.00056300  1.0
  Ir  Ir8  1  0.66666700  0.33333300  0.66296000  1.0
  Ir  Ir9  1  0.66666700  0.33333300  0.83696300  1.0
  Ir  Ir10  1  0.00000000  0.00000000  0.16494400  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.33745800  1.0
  O  O12  1  0.15414100  0.30828300  0.41007300  1.0
  O  O13  1  0.15414100  0.84585900  0.41007300  1.0
  O  O14  1  0.69171700  0.84585900  0.41007300  1.0
  O  O15  1  0.51200100  0.02400300  0.58764500  1.0
  O  O16  1  0.51200100  0.48799900  0.58764500  1.0
  O  O17  1  0.97599700  0.48799900  0.58764500  1.0
  O  O18  1  0.51201700  0.02403300  0.91183900  1.0
  O  O19  1  0.51201700  0.48798300  0.91183900  1.0
  O  O20  1  0.97596700  0.48798300  0.91183900  1.0
  O  O21  1  0.15440900  0.30881800  0.08928200  1.0
  O  O22  1  0.15440900  0.84559100  0.08928200  1.0
  O  O23  1  0.69118200  0.84559100  0.08928200  1.0
  O  O24  1  0.82265100  0.64530200  0.74996600  1.0
  O  O25  1  0.82265100  0.17734900  0.74996600  1.0
  O  O26  1  0.35469800  0.17734900  0.74996600  1.0
  O  O27  1  0.84306000  0.68611900  0.24988400  1.0
  O  O28  1  0.84306000  0.15694000  0.24988400  1.0
  O  O29  1  0.31388100  0.15694000  0.24988400  1.0