# generated using pymatgen
data_Ba4Sc(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89527598
_cell_length_b   9.89527678
_cell_length_c   9.89527682
_cell_angle_alpha   33.92708569
_cell_angle_beta   33.92707975
_cell_angle_gamma   33.92708276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sc(IrO6)2
_chemical_formula_sum   'Ba4 Sc1 Ir2 O12'
_cell_volume   269.01368373
_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  0.70999513  0.70999513  0.70999513  1.0
  Ba  Ba1  1  0.29000487  0.29000487  0.29000487  1.0
  Ba  Ba2  1  0.86822424  0.86822424  0.86822424  1.0
  Ba  Ba3  1  0.13177576  0.13177576  0.13177576  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.58094139  0.58094139  0.58094139  1.0
  Ir  Ir6  1  0.41905861  0.41905861  0.41905861  1.0
  O  O7  1  0.21582781  0.69767880  0.21582781  1.0
  O  O8  1  0.21582781  0.21582781  0.69767880  1.0
  O  O9  1  0.69767880  0.21582781  0.21582781  1.0
  O  O10  1  0.78417219  0.30232120  0.78417219  1.0
  O  O11  1  0.78417219  0.78417219  0.30232120  1.0
  O  O12  1  0.30232120  0.78417219  0.78417219  1.0
  O  O13  1  0.38678320  0.86204926  0.38678320  1.0
  O  O14  1  0.38678320  0.38678320  0.86204926  1.0
  O  O15  1  0.86204926  0.38678320  0.38678320  1.0
  O  O16  1  0.61321680  0.13795074  0.61321680  1.0
  O  O17  1  0.61321680  0.61321680  0.13795074  1.0
  O  O18  1  0.13795074  0.61321680  0.61321680  1.0