# generated using pymatgen
data_Ba2InIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93630754
_cell_length_b   5.93630754
_cell_length_c   14.83307700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InIrO6
_chemical_formula_sum   'Ba6 In3 Ir3 O18'
_cell_volume   452.68352555
_cell_formula_units_Z   3
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  0.41018600  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.90363700  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.24848100  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.75151900  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.58981400  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.09636300  1.0
  In  In6  1  0.66666700  0.33333300  0.34652900  1.0
  In  In7  1  0.33333300  0.66666700  0.65347100  1.0
  In  In8  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir10  1  0.66666700  0.33333300  0.15677500  1.0
  Ir  Ir11  1  0.33333300  0.66666700  0.84322500  1.0
  O  O12  1  0.82951500  0.65903000  0.08541100  1.0
  O  O13  1  0.84235700  0.68471400  0.42243700  1.0
  O  O14  1  0.51279000  0.02557900  0.24220000  1.0
  O  O15  1  0.97442100  0.48721000  0.24220000  1.0
  O  O16  1  0.68471400  0.84235700  0.57756300  1.0
  O  O17  1  0.31528600  0.15764300  0.42243700  1.0
  O  O18  1  0.15764300  0.84235700  0.57756300  1.0
  O  O19  1  0.15764300  0.31528600  0.57756300  1.0
  O  O20  1  0.34097000  0.17048500  0.08541100  1.0
  O  O21  1  0.84235700  0.15764300  0.42243700  1.0
  O  O22  1  0.82951500  0.17048500  0.08541100  1.0
  O  O23  1  0.17048500  0.34097000  0.91458900  1.0
  O  O24  1  0.17048500  0.82951500  0.91458900  1.0
  O  O25  1  0.51279000  0.48721000  0.24220000  1.0
  O  O26  1  0.65903000  0.82951500  0.91458900  1.0
  O  O27  1  0.02557900  0.51279000  0.75780000  1.0
  O  O28  1  0.48721000  0.97442100  0.75780000  1.0
  O  O29  1  0.48721000  0.51279000  0.75780000  1.0