# generated using pymatgen
data_Ba4IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30769192
_cell_length_b   7.30769192
_cell_length_c   7.30769181
_cell_angle_alpha   89.68204031
_cell_angle_beta   89.68204031
_cell_angle_gamma   89.68203552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4IrO6
_chemical_formula_sum   'Ba8 Ir2 O12'
_cell_volume   390.23003646
_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  0.75000000  0.11684173  0.38315827  1.0
  Ba  Ba1  1  0.61684173  0.25000000  0.88315827  1.0
  Ba  Ba2  1  0.88315827  0.61684173  0.25000000  1.0
  Ba  Ba3  1  0.75000000  0.75000000  0.75000000  1.0
  Ba  Ba4  1  0.25000000  0.25000000  0.25000000  1.0
  Ba  Ba5  1  0.11684173  0.38315827  0.75000000  1.0
  Ba  Ba6  1  0.38315827  0.75000000  0.11684173  1.0
  Ba  Ba7  1  0.25000000  0.88315827  0.61684173  1.0
  Ir  Ir8  1  0.00000000  0.00000000  -0.00000000  1.0
  Ir  Ir9  1  0.50000000  0.50000000  0.50000000  1.0
  O  O10  1  0.92803007  0.06138572  0.73035340  1.0
  O  O11  1  0.93861428  0.26964660  0.07196993  1.0
  O  O12  1  0.76964660  0.43861428  0.57196993  1.0
  O  O13  1  0.42803007  0.23035340  0.56138572  1.0
  O  O14  1  0.26964660  0.07196993  0.93861428  1.0
  O  O15  1  0.56138572  0.42803007  0.23035340  1.0
  O  O16  1  0.43861428  0.57196993  0.76964660  1.0
  O  O17  1  0.57196993  0.76964660  0.43861428  1.0
  O  O18  1  0.73035340  0.92803007  0.06138572  1.0
  O  O19  1  0.23035340  0.56138572  0.42803007  1.0
  O  O20  1  0.06138572  0.73035340  0.92803007  1.0
  O  O21  1  0.07196993  0.93861428  0.26964660  1.0