# generated using pymatgen
data_SrIrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51607999
_cell_length_b   5.51607999
_cell_length_c   14.37888941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.56732076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIrO3
_chemical_formula_sum   'Sr6 Ir6 O18'
_cell_volume   384.24436697
_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
  Sr  Sr0  1  0.99158544  0.00841456  0.75000000  1.0
  Sr  Sr1  1  0.00841456  0.99158544  0.25000000  1.0
  Sr  Sr2  1  0.32217068  0.67782932  0.89286250  1.0
  Sr  Sr3  1  0.32217068  0.67782932  0.60713750  1.0
  Sr  Sr4  1  0.67782932  0.32217068  0.10713750  1.0
  Sr  Sr5  1  0.67782932  0.32217068  0.39286250  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  0.33927452  0.66072548  0.15316631  1.0
  Ir  Ir9  1  0.33927452  0.66072548  0.34683369  1.0
  Ir  Ir10  1  0.66072548  0.33927452  0.84683369  1.0
  Ir  Ir11  1  0.66072548  0.33927452  0.65316631  1.0
  O  O12  1  0.20146212  0.28064580  0.40222187  1.0
  O  O13  1  0.71935420  0.79853788  0.09777813  1.0
  O  O14  1  0.79853788  0.71935420  0.59777813  1.0
  O  O15  1  0.28064580  0.20146212  0.90222187  1.0
  O  O16  1  0.20123176  0.79876824  0.04512222  1.0
  O  O17  1  0.20123176  0.79876824  0.45487778  1.0
  O  O18  1  0.79876824  0.20123176  0.95487778  1.0
  O  O19  1  0.79876824  0.20123176  0.54512222  1.0
  O  O20  1  0.71935420  0.79853788  0.40222187  1.0
  O  O21  1  0.20146212  0.28064580  0.09777813  1.0
  O  O22  1  0.28064580  0.20146212  0.59777813  1.0
  O  O23  1  0.79853788  0.71935420  0.90222187  1.0
  O  O24  1  0.51089998  0.48910002  0.75000000  1.0
  O  O25  1  0.48910002  0.51089998  0.25000000  1.0
  O  O26  1  0.51598448  0.02209855  0.75000000  1.0
  O  O27  1  0.97790145  0.48401552  0.75000000  1.0
  O  O28  1  0.48401552  0.97790145  0.25000000  1.0
  O  O29  1  0.02209855  0.51598448  0.25000000  1.0