# generated using pymatgen
data_Ba3ZrIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87703062
_cell_length_b   5.87703062
_cell_length_c   14.58248700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3ZrIr2O9
_chemical_formula_sum   'Ba6 Zr2 Ir4 O18'
_cell_volume   436.19241210
_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  0.33333300  0.66666700  0.09322500  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.90677500  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.59322500  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.40677500  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.75000000  1.0
  Zr  Zr6  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr7  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.66166100  1.0
  Ir  Ir9  1  0.66666700  0.33333300  0.33833900  1.0
  Ir  Ir10  1  0.66666700  0.33333300  0.16166100  1.0
  Ir  Ir11  1  0.33333300  0.66666700  0.83833900  1.0
  O  O12  1  0.16972000  0.33944000  0.58281900  1.0
  O  O13  1  0.83028000  0.66056000  0.41718100  1.0
  O  O14  1  0.66056000  0.83028000  0.58281900  1.0
  O  O15  1  0.83028000  0.66056000  0.08281900  1.0
  O  O16  1  0.33944000  0.16972000  0.41718100  1.0
  O  O17  1  0.16972000  0.33944000  0.91718100  1.0
  O  O18  1  0.16972000  0.83028000  0.58281900  1.0
  O  O19  1  0.33944000  0.16972000  0.08281900  1.0
  O  O20  1  0.83028000  0.16972000  0.41718100  1.0
  O  O21  1  0.66056000  0.83028000  0.91718100  1.0
  O  O22  1  0.83028000  0.16972000  0.08281900  1.0
  O  O23  1  0.16972000  0.83028000  0.91718100  1.0
  O  O24  1  0.50906500  0.01813100  0.25000000  1.0
  O  O25  1  0.49093500  0.98186900  0.75000000  1.0
  O  O26  1  0.98186900  0.49093500  0.25000000  1.0
  O  O27  1  0.01813100  0.50906500  0.75000000  1.0
  O  O28  1  0.50906500  0.49093500  0.25000000  1.0
  O  O29  1  0.49093500  0.50906500  0.75000000  1.0