# generated using pymatgen
data_TaTi5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03581937
_cell_length_b   5.00658670
_cell_length_c   5.03581937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTi5Ir2
_chemical_formula_sum   'Ta1 Ti5 Ir2'
_cell_volume   126.96441873
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.50000000  0.25000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.75000000  0.00000000  1.0
  Ti  Ti2  1  0.25015112  0.99710743  0.50000000  1.0
  Ti  Ti3  1  0.74984888  0.99710743  0.50000000  1.0
  Ti  Ti4  1  0.00000000  0.50289257  0.24984888  1.0
  Ti  Ti5  1  0.00000000  0.50289257  0.75015112  1.0
  Ir  Ir6  1  0.50000000  0.49625596  0.50000000  1.0
  Ir  Ir7  1  0.00000000  0.00374404  0.00000000  1.0