# generated using pymatgen
data_Ti3Al2IrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12608592
_cell_length_b   8.12607278
_cell_length_c   8.12603757
_cell_angle_alpha   59.99959797
_cell_angle_beta   59.99966112
_cell_angle_gamma   59.99968376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2IrO
_chemical_formula_sum   'Ti12 Al8 Ir4 O4'
_cell_volume   379.42197122
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.56091804  0.93908267  0.56092108  1.0
  Ti  Ti1  1  0.31091439  0.68908373  0.68908196  1.0
  Ti  Ti2  1  0.68908379  0.31092155  0.31091701  1.0
  Ti  Ti3  1  0.31091734  0.68908596  0.31091435  1.0
  Ti  Ti4  1  0.68907909  0.68907551  0.31091821  1.0
  Ti  Ti5  1  0.31091419  0.31091663  0.68908597  1.0
  Ti  Ti6  1  0.56092091  0.56092449  0.93908179  1.0
  Ti  Ti7  1  0.93908561  0.56091627  0.56091804  1.0
  Ti  Ti8  1  0.56091621  0.93907845  0.93908299  1.0
  Ti  Ti9  1  0.93908581  0.93908337  0.56091403  1.0
  Ti  Ti10  1  0.68908196  0.31091733  0.68907892  1.0
  Ti  Ti11  1  0.93908266  0.56091404  0.93908565  1.0
  Al  Al12  1  0.33449269  0.33449015  0.33448493  1.0
  Al  Al13  1  0.25347501  0.91550788  0.91551018  1.0
  Al  Al14  1  0.91550741  0.25347271  0.91551227  1.0
  Al  Al15  1  0.91550985  0.91551229  0.25346439  1.0
  Al  Al16  1  0.33449259  0.99652729  0.33448773  1.0
  Al  Al17  1  0.33449015  0.33448771  0.99653561  1.0
  Al  Al18  1  0.99652499  0.33449212  0.33448982  1.0
  Al  Al19  1  0.91550731  0.91550985  0.91551507  1.0
  Ir  Ir20  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir21  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir22  1  0.12500000  0.62500000  0.12500000  1.0
  Ir  Ir23  1  0.12500000  0.12500000  0.62500000  1.0
  O  O24  1  0.62500000  0.62500000  0.62500000  1.0
  O  O25  1  0.12500000  0.62500000  0.62500000  1.0
  O  O26  1  0.62500000  0.12500000  0.62500000  1.0
  O  O27  1  0.62500000  0.62500000  0.12500000  1.0