# generated using pymatgen
data_Ba4Sc(IrO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21665048
_cell_length_b   10.21665063
_cell_length_c   10.21665075
_cell_angle_alpha   33.13141686
_cell_angle_beta   33.13141667
_cell_angle_gamma   33.13141246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sc(IrO4)3
_chemical_formula_sum   'Ba4 Sc1 Ir3 O12'
_cell_volume   283.55920544
_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  0.71112664  0.71112664  0.71112664  1.0
  Ba  Ba1  1  0.28887336  0.28887336  0.28887336  1.0
  Ba  Ba2  1  0.87375518  0.87375518  0.87375518  1.0
  Ba  Ba3  1  0.12624482  0.12624482  0.12624482  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.41215174  0.41215174  0.41215174  1.0
  Ir  Ir6  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir7  1  0.58784826  0.58784826  0.58784826  1.0
  O  O8  1  0.21173627  0.21173627  0.69931602  1.0
  O  O9  1  0.69931602  0.21173627  0.21173627  1.0
  O  O10  1  0.21173627  0.69931602  0.21173627  1.0
  O  O11  1  0.78826373  0.30068398  0.78826373  1.0
  O  O12  1  0.78826373  0.78826373  0.30068398  1.0
  O  O13  1  0.30068398  0.78826373  0.78826373  1.0
  O  O14  1  0.38506735  0.38506735  0.85944869  1.0
  O  O15  1  0.85944869  0.38506735  0.38506735  1.0
  O  O16  1  0.14055131  0.61493265  0.61493265  1.0
  O  O17  1  0.61493265  0.61493265  0.14055131  1.0
  O  O18  1  0.61493265  0.14055131  0.61493265  1.0
  O  O19  1  0.38506735  0.85944869  0.38506735  1.0