# generated using pymatgen
data_Li3Ti(NbIr3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32244631
_cell_length_b   6.08375120
_cell_length_c   12.93054375
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti(NbIr3)2
_chemical_formula_sum   'Li6 Ti2 Nb4 Ir12'
_cell_volume   340.03047317
_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
  Li  Li0  1  0.99996231  0.00000000  0.99696425  1.0
  Li  Li1  1  0.49961915  0.50000000  0.16433664  1.0
  Li  Li2  1  0.99962015  0.00000000  0.33566336  1.0
  Li  Li3  1  0.49996031  0.50000000  0.50303575  1.0
  Li  Li4  1  0.00046003  0.00000000  0.66739325  1.0
  Li  Li5  1  0.50045803  0.50000000  0.83260675  1.0
  Ti  Ti6  1  0.00024121  0.50000000  0.66974199  1.0
  Ti  Ti7  1  0.50024221  0.00000000  0.83025701  1.0
  Nb  Nb8  1  0.00005776  0.50000000  0.99502618  1.0
  Nb  Nb9  1  0.49963495  0.00000000  0.16507371  1.0
  Nb  Nb10  1  0.99963295  0.50000000  0.33492629  1.0
  Nb  Nb11  1  0.50005576  0.00000000  0.50497382  1.0
  Ir  Ir12  1  0.50002946  0.24712290  0.99671599  1.0
  Ir  Ir13  1  0.50002946  0.75287710  0.99671599  1.0
  Ir  Ir14  1  0.99970271  0.25035664  0.16584428  1.0
  Ir  Ir15  1  0.99970271  0.74964236  0.16584428  1.0
  Ir  Ir16  1  0.49970171  0.24964336  0.33415572  1.0
  Ir  Ir17  1  0.49970171  0.75035764  0.33415572  1.0
  Ir  Ir18  1  0.00003146  0.25287610  0.50328401  1.0
  Ir  Ir19  1  0.00003146  0.74712290  0.50328401  1.0
  Ir  Ir20  1  0.50027663  0.25362729  0.66926966  1.0
  Ir  Ir21  1  0.50027663  0.74637371  0.66926966  1.0
  Ir  Ir22  1  0.00027863  0.24637271  0.83073034  1.0
  Ir  Ir23  1  0.00027863  0.75362629  0.83073034  1.0