# generated using pymatgen
data_Ta5Ti(ZnIr2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54478392
_cell_length_b   5.82351026
_cell_length_c   13.63152461
_cell_angle_alpha   89.99994002
_cell_angle_beta   100.25048550
_cell_angle_gamma   90.00000388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Ti(ZnIr2)6
_chemical_formula_sum   'Ta5 Ti1 Zn6 Ir12'
_cell_volume   355.02170985
_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  0.00364228  0.00000235  0.99793092  1.0
  Ta  Ta1  1  0.50244406  0.49999881  0.16547227  1.0
  Ta  Ta2  1  0.99982735  0.99999215  0.33334129  1.0
  Ta  Ta3  1  0.49738732  0.49999841  0.50121658  1.0
  Ta  Ta4  1  0.99650960  0.00000214  0.66871033  1.0
  Ti  Ti5  1  0.50018857  0.50000809  0.83331493  1.0
  Zn  Zn6  1  0.00056407  0.50000335  0.99860909  1.0
  Zn  Zn7  1  0.50206518  0.99999821  0.16552241  1.0
  Zn  Zn8  1  0.99983603  0.49999436  0.33334824  1.0
  Zn  Zn9  1  0.49772550  0.99999890  0.50116633  1.0
  Zn  Zn10  1  0.99959054  0.49999948  0.66803537  1.0
  Zn  Zn11  1  0.50017632  0.00001025  0.83332115  1.0
  Ir  Ir12  1  0.50282764  0.25114334  0.99897574  1.0
  Ir  Ir13  1  0.50282712  0.74886324  0.99897571  1.0
  Ir  Ir14  1  0.00242477  0.24997408  0.16637108  1.0
  Ir  Ir15  1  0.00242551  0.75001739  0.16637065  1.0
  Ir  Ir16  1  0.49985376  0.24987883  0.33335817  1.0
  Ir  Ir17  1  0.49985504  0.75010931  0.33335855  1.0
  Ir  Ir18  1  0.99739517  0.24997631  0.50032239  1.0
  Ir  Ir19  1  0.99739478  0.75001598  0.50032308  1.0
  Ir  Ir20  1  0.49733666  0.25113424  0.66767199  1.0
  Ir  Ir21  1  0.49733727  0.74887096  0.66767233  1.0
  Ir  Ir22  1  0.00018910  0.25227468  0.83330666  1.0
  Ir  Ir23  1  0.00018637  0.74773817  0.83330675  1.0