# generated using pymatgen
data_Li2Hf(ZrIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37131019
_cell_length_b   6.87115647
_cell_length_c   12.92261873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00015849
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Hf(ZrIr2)3
_chemical_formula_sum   'Li4 Hf2 Zr6 Ir12'
_cell_volume   388.14321129
_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  0.99998431  0.00000000  0.33867820  1.0
  Li  Li1  1  0.50000574  0.50000100  0.50356903  1.0
  Li  Li2  1  0.99999859  0.00000000  0.66285823  1.0
  Li  Li3  1  0.50000305  0.50000100  0.82803929  1.0
  Hf  Hf4  1  0.99999975  0.00000000  0.99572332  1.0
  Hf  Hf5  1  0.49999691  0.50000100  0.17098003  1.0
  Zr  Zr6  1  0.00000003  0.50000100  0.98469770  1.0
  Zr  Zr7  1  0.49999486  0.00000000  0.18204833  1.0
  Zr  Zr8  1  0.99999700  0.50000100  0.35353884  1.0
  Zr  Zr9  1  0.49999988  0.00000000  0.50399241  1.0
  Zr  Zr10  1  0.00000536  0.50000100  0.66263988  1.0
  Zr  Zr11  1  0.50000291  0.00000000  0.81309975  1.0
  Ir  Ir12  1  0.49999996  0.24186569  0.00042531  1.0
  Ir  Ir13  1  0.49999996  0.75813431  0.00042531  1.0
  Ir  Ir14  1  0.99999576  0.25810756  0.16632790  1.0
  Ir  Ir15  1  0.99999576  0.74189344  0.16632790  1.0
  Ir  Ir16  1  0.49999935  0.25498219  0.33652352  1.0
  Ir  Ir17  1  0.49999935  0.74501781  0.33652352  1.0
  Ir  Ir18  1  0.00000198  0.24170216  0.50346130  1.0
  Ir  Ir19  1  0.00000198  0.75829784  0.50346130  1.0
  Ir  Ir20  1  0.50000482  0.25831644  0.66316104  1.0
  Ir  Ir21  1  0.50000482  0.74168356  0.66316104  1.0
  Ir  Ir22  1  0.00000493  0.24503116  0.83016944  1.0
  Ir  Ir23  1  0.00000493  0.75496984  0.83016944  1.0