# generated using pymatgen
data_LiTi6Zn5Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30232198
_cell_length_b   6.05250543
_cell_length_c   12.90157452
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99923224
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi6Zn5Ir12
_chemical_formula_sum   'Li1 Ti6 Zn5 Ir12'
_cell_volume   335.95476984
_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
  Li  Li0  1  0.50021882  0.50000100  0.83335295  1.0
  Ti  Ti1  1  0.00001463  0.50000000  0.99879043  1.0
  Ti  Ti2  1  0.49970924  0.00000000  0.16409336  1.0
  Ti  Ti3  1  0.99970764  0.50000000  0.33333856  1.0
  Ti  Ti4  1  0.50000195  0.99999900  0.50257742  1.0
  Ti  Ti5  1  0.00031139  0.50000000  0.66787609  1.0
  Ti  Ti6  1  0.50028568  0.00000000  0.83333822  1.0
  Zn  Zn7  1  0.00002068  0.00000000  0.99868171  1.0
  Zn  Zn8  1  0.49961775  0.50000100  0.16609289  1.0
  Zn  Zn9  1  0.99967868  0.99999800  0.33326637  1.0
  Zn  Zn10  1  0.49999567  0.50000100  0.50069930  1.0
  Zn  Zn11  1  0.00037729  0.99999900  0.66787316  1.0
  Ir  Ir12  1  0.50002638  0.25252451  0.99790759  1.0
  Ir  Ir13  1  0.50002538  0.74747549  0.99790859  1.0
  Ir  Ir14  1  0.99970951  0.24949163  0.16664443  1.0
  Ir  Ir15  1  0.99970951  0.75050837  0.16664443  1.0
  Ir  Ir16  1  0.49971740  0.24913557  0.33335675  1.0
  Ir  Ir17  1  0.49971740  0.75086343  0.33335675  1.0
  Ir  Ir18  1  0.99999559  0.24945960  0.49999346  1.0
  Ir  Ir19  1  0.99999559  0.75054040  0.49999346  1.0
  Ir  Ir20  1  0.50030135  0.25251523  0.66877829  1.0
  Ir  Ir21  1  0.50030035  0.74748377  0.66877829  1.0
  Ir  Ir22  1  0.00027655  0.25483343  0.83332825  1.0
  Ir  Ir23  1  0.00027655  0.74516657  0.83332825  1.0