# generated using pymatgen
data_BaIrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79428228
_cell_length_b   5.79428228
_cell_length_c   14.62414104
_cell_angle_alpha   89.05063261
_cell_angle_beta   89.05063261
_cell_angle_gamma   119.71560359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIrO3
_chemical_formula_sum   'Ba6 Ir6 O18'
_cell_volume   426.18800206
_cell_formula_units_Z   6
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  0.99611100  0.00388900  0.75000000  1.0
  Ba  Ba1  1  0.00388900  0.99611100  0.25000000  1.0
  Ba  Ba2  1  0.34322000  0.67654200  0.90445700  1.0
  Ba  Ba3  1  0.32345800  0.65678000  0.59554300  1.0
  Ba  Ba4  1  0.65678000  0.32345800  0.09554300  1.0
  Ba  Ba5  1  0.67654200  0.34322000  0.40445700  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir8  1  0.32444700  0.65406400  0.15325500  1.0
  Ir  Ir9  1  0.34593600  0.67555300  0.34674500  1.0
  Ir  Ir10  1  0.67555300  0.34593600  0.84674500  1.0
  Ir  Ir11  1  0.65406400  0.32444700  0.65325500  1.0
  O  O12  1  0.71040400  0.88991400  0.40679400  1.0
  O  O13  1  0.11008600  0.28959600  0.09320600  1.0
  O  O14  1  0.28959600  0.11008600  0.59320600  1.0
  O  O15  1  0.88991400  0.71040400  0.90679400  1.0
  O  O16  1  0.09959000  0.79776600  0.09243500  1.0
  O  O17  1  0.20223400  0.90041000  0.40756500  1.0
  O  O18  1  0.90041000  0.20223400  0.90756500  1.0
  O  O19  1  0.79776600  0.09959000  0.59243500  1.0
  O  O20  1  0.18657600  0.37947200  0.44710900  1.0
  O  O21  1  0.62052800  0.81342400  0.05289100  1.0
  O  O22  1  0.81342400  0.62052800  0.55289100  1.0
  O  O23  1  0.37947200  0.18657600  0.94710900  1.0
  O  O24  1  0.51474400  0.48525600  0.75000000  1.0
  O  O25  1  0.48525600  0.51474400  0.25000000  1.0
  O  O26  1  0.95599900  0.48673400  0.74161600  1.0
  O  O27  1  0.51326600  0.04400100  0.75838400  1.0
  O  O28  1  0.04400100  0.51326600  0.25838400  1.0
  O  O29  1  0.48673400  0.95599900  0.24161600  1.0