# generated using pymatgen
data_Li5Zr(TiIr2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31232065
_cell_length_b   6.05705170
_cell_length_c   12.88448819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00055039
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Zr(TiIr2)6
_chemical_formula_sum   'Li5 Zr1 Ti6 Ir12'
_cell_volume   336.54217610
_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  0.49988536  0.50000000  0.16969065  1.0
  Li  Li1  1  0.99975118  0.00000000  0.33591596  1.0
  Li  Li2  1  0.49998722  0.50000000  0.49999984  1.0
  Li  Li3  1  0.00024015  0.00000000  0.66408557  1.0
  Li  Li4  1  0.50011949  0.50000000  0.83031031  1.0
  Zr  Zr5  1  0.00000054  0.00000000  0.99999152  1.0
  Ti  Ti6  1  0.00000032  0.50000000  0.99999539  1.0
  Ti  Ti7  1  0.49984656  0.00000000  0.17962737  1.0
  Ti  Ti8  1  0.99979416  0.50000000  0.34016887  1.0
  Ti  Ti9  1  0.49999836  0.00000000  0.50000538  1.0
  Ti  Ti10  1  0.00020729  0.50000000  0.65983564  1.0
  Ti  Ti11  1  0.50015506  0.00000000  0.82036924  1.0
  Ir  Ir12  1  0.50000035  0.25855182  0.00000090  1.0
  Ir  Ir13  1  0.50000035  0.74144818  0.00000090  1.0
  Ir  Ir14  1  0.99983276  0.25530979  0.17081299  1.0
  Ir  Ir15  1  0.99983276  0.74468921  0.17081299  1.0
  Ir  Ir16  1  0.49978660  0.25209220  0.33596264  1.0
  Ir  Ir17  1  0.49978660  0.74790880  0.33596264  1.0
  Ir  Ir18  1  0.99999760  0.24779389  0.50000008  1.0
  Ir  Ir19  1  0.99999760  0.75220511  0.50000008  1.0
  Ir  Ir20  1  0.50021585  0.25209388  0.66403802  1.0
  Ir  Ir21  1  0.50021585  0.74790712  0.66403802  1.0
  Ir  Ir22  1  0.00016951  0.25531193  0.82918551  1.0
  Ir  Ir23  1  0.00016951  0.74468707  0.82918551  1.0