# generated using pymatgen
data_Li5Hf(ZrIr2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48813491
_cell_length_b   6.28342941
_cell_length_c   13.39379625
_cell_angle_alpha   89.99958489
_cell_angle_beta   90.00063860
_cell_angle_gamma   90.00013530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Hf(ZrIr2)6
_chemical_formula_sum   'Li5 Hf1 Zr6 Ir12'
_cell_volume   377.71682655
_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  0.49991793  0.99996505  0.16743007  1.0
  Li  Li1  1  0.99995713  0.50001170  0.33595329  1.0
  Li  Li2  1  0.50000032  0.00000006  0.49997035  1.0
  Li  Li3  1  0.00003641  0.49998507  0.66400850  1.0
  Li  Li4  1  0.50008753  0.00003542  0.83259173  1.0
  Hf  Hf5  1  0.00000173  0.49999934  0.00007810  1.0
  Zr  Zr6  1  0.00002420  0.00000054  0.00008612  1.0
  Zr  Zr7  1  0.49996842  0.49999550  0.17773257  1.0
  Zr  Zr8  1  0.99997334  0.00000044  0.33680769  1.0
  Zr  Zr9  1  0.49997817  0.49999982  0.49990272  1.0
  Zr  Zr10  1  0.00005089  0.99999938  0.66307025  1.0
  Zr  Zr11  1  0.50002738  0.50000645  0.82235123  1.0
  Ir  Ir12  1  0.50000805  0.25287602  0.00009419  1.0
  Ir  Ir13  1  0.50000579  0.74712175  0.00009335  1.0
  Ir  Ir14  1  0.99996554  0.24893767  0.16719698  1.0
  Ir  Ir15  1  0.99996573  0.75105776  0.16719675  1.0
  Ir  Ir16  1  0.49997983  0.24547239  0.33606591  1.0
  Ir  Ir17  1  0.49997820  0.75452493  0.33606575  1.0
  Ir  Ir18  1  0.99999258  0.25112124  0.49989928  1.0
  Ir  Ir19  1  0.99999195  0.74887873  0.49989987  1.0
  Ir  Ir20  1  0.50001941  0.24551909  0.66384730  1.0
  Ir  Ir21  1  0.50001341  0.75448485  0.66384613  1.0
  Ir  Ir22  1  0.00003322  0.24892734  0.83290592  1.0
  Ir  Ir23  1  0.00003283  0.75107647  0.83290594  1.0