# generated using pymatgen
data_Ti3Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02877796
_cell_length_b   5.42649608
_cell_length_c   10.72729472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ir5
_chemical_formula_sum   'Ti6 Ir10'
_cell_volume   234.52170323
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.31733481  0.14156613  1.0
  Ti  Ti3  1  0.50000000  0.68266519  0.85843387  1.0
  Ti  Ti4  1  0.50000000  0.81733481  0.35843387  1.0
  Ti  Ti5  1  0.50000000  0.18266519  0.64156613  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir7  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir8  1  0.00000000  0.05996906  0.24491397  1.0
  Ir  Ir9  1  0.00000000  0.94003094  0.75508603  1.0
  Ir  Ir10  1  0.00000000  0.55996906  0.25508603  1.0
  Ir  Ir11  1  0.00000000  0.44003094  0.74491397  1.0
  Ir  Ir12  1  0.50000000  0.29996768  0.38883484  1.0
  Ir  Ir13  1  0.50000000  0.70003232  0.61116516  1.0
  Ir  Ir14  1  0.50000000  0.79996768  0.11116516  1.0
  Ir  Ir15  1  0.50000000  0.20003232  0.88883484  1.0