# generated using pymatgen
data_Ti3Al2IrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17931305
_cell_length_b   8.17931358
_cell_length_c   8.17931253
_cell_angle_alpha   60.00000421
_cell_angle_beta   60.00000207
_cell_angle_gamma   59.99999661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2IrC
_chemical_formula_sum   'Ti12 Al8 Ir4 C4'
_cell_volume   386.93276182
_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  0.56262318  0.93737682  0.56262318  1.0
  Ti  Ti1  1  0.31262318  0.68737682  0.68737682  1.0
  Ti  Ti2  1  0.68737682  0.31262318  0.31262318  1.0
  Ti  Ti3  1  0.31262318  0.68737682  0.31262318  1.0
  Ti  Ti4  1  0.68737682  0.68737682  0.31262318  1.0
  Ti  Ti5  1  0.31262318  0.31262318  0.68737682  1.0
  Ti  Ti6  1  0.56262318  0.56262318  0.93737682  1.0
  Ti  Ti7  1  0.93737682  0.56262318  0.56262318  1.0
  Ti  Ti8  1  0.56262318  0.93737682  0.93737682  1.0
  Ti  Ti9  1  0.93737682  0.93737682  0.56262318  1.0
  Ti  Ti10  1  0.68737682  0.31262318  0.68737682  1.0
  Ti  Ti11  1  0.93737682  0.56262318  0.93737682  1.0
  Al  Al12  1  0.91497386  0.91497386  0.91497386  1.0
  Al  Al13  1  0.99492059  0.33502614  0.33502614  1.0
  Al  Al14  1  0.33502614  0.99492059  0.33502614  1.0
  Al  Al15  1  0.33502614  0.33502614  0.99492059  1.0
  Al  Al16  1  0.91497386  0.25507941  0.91497386  1.0
  Al  Al17  1  0.91497386  0.91497386  0.25507941  1.0
  Al  Al18  1  0.25507941  0.91497386  0.91497386  1.0
  Al  Al19  1  0.33502614  0.33502614  0.33502614  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
  C  C24  1  0.62500000  0.62500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.62500000  1.0
  C  C26  1  0.62500000  0.12500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.12500000  1.0