# generated using pymatgen
data_Ba3YFeIrO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85080459
_cell_length_b   5.85080433
_cell_length_c   14.55293960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3YFeIrO9
_chemical_formula_sum   'Ba6 Y2 Fe2 Ir2 O18'
_cell_volume   431.43214134
_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  0.66666700  0.33333300  0.40296938  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.58945827  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.90296938  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.08945827  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.74969791  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.24969791  1.0
  Y  Y6  1  0.00000000  0.00000000  0.49723935  1.0
  Y  Y7  1  0.00000000  0.00000000  0.99723935  1.0
  Fe  Fe8  1  0.33333300  0.66666700  0.34450097  1.0
  Fe  Fe9  1  0.66666700  0.33333300  0.84450097  1.0
  Ir  Ir10  1  0.66666700  0.33333300  0.66264689  1.0
  Ir  Ir11  1  0.33333300  0.66666700  0.16264689  1.0
  O  O12  1  0.52089175  0.04178351  0.75540682  1.0
  O  O13  1  0.52089175  0.47910825  0.75540682  1.0
  O  O14  1  0.95821649  0.47910825  0.75540682  1.0
  O  O15  1  0.47910825  0.95821649  0.25540682  1.0
  O  O16  1  0.47910825  0.52089175  0.25540682  1.0
  O  O17  1  0.04178351  0.52089175  0.25540682  1.0
  O  O18  1  0.81911254  0.63822508  0.91050357  1.0
  O  O19  1  0.81911254  0.18088746  0.91050357  1.0
  O  O20  1  0.36177492  0.18088746  0.91050357  1.0
  O  O21  1  0.17408888  0.34817875  0.08521735  1.0
  O  O22  1  0.17408888  0.82591112  0.08521735  1.0
  O  O23  1  0.65182125  0.82591112  0.08521735  1.0
  O  O24  1  0.18088746  0.36177492  0.41050357  1.0
  O  O25  1  0.18088746  0.81911254  0.41050357  1.0
  O  O26  1  0.63822508  0.81911254  0.41050357  1.0
  O  O27  1  0.82591112  0.65182125  0.58521735  1.0
  O  O28  1  0.82591112  0.17408888  0.58521735  1.0
  O  O29  1  0.34817875  0.17408888  0.58521735  1.0