# generated using pymatgen
data_Ti3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10957800
_cell_length_b   3.10957800
_cell_length_c   15.96866300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Ir2
_chemical_formula_sum   'Ti6 Ir4'
_cell_volume   154.40859306
_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  0.50000000  0.50000000  0.10667400  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.30286500  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.69713500  1.0
  Ti  Ti4  1  0.50000000  0.50000000  0.89332600  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.20577700  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.39983900  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.60016100  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.79422300  1.0