# generated using pymatgen
data_Li5Hf6MgIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42777085
_cell_length_b   6.19174606
_cell_length_c   13.27511341
_cell_angle_alpha   89.99999578
_cell_angle_beta   89.99832977
_cell_angle_gamma   89.99998136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Hf6MgIr12
_chemical_formula_sum   'Li5 Hf6 Mg1 Ir12'
_cell_volume   363.94563342
_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  0.99989494  0.50000343  0.00099763  1.0
  Li  Li1  1  0.49980724  0.00000018  0.16746760  1.0
  Li  Li2  1  0.99967840  0.49999127  0.33336360  1.0
  Li  Li3  1  0.49990839  0.00000187  0.49923993  1.0
  Li  Li4  1  0.00000674  0.49999818  0.66570358  1.0
  Hf  Hf5  1  0.00000782  0.00000101  0.00295471  1.0
  Hf  Hf6  1  0.49979284  0.50000079  0.16870322  1.0
  Hf  Hf7  1  0.99978298  0.00000006  0.33334920  1.0
  Hf  Hf8  1  0.49989551  0.50000106  0.49798035  1.0
  Hf  Hf9  1  0.00009756  0.00000036  0.66371601  1.0
  Hf  Hf10  1  0.50012215  0.50000103  0.83336741  1.0
  Mg  Mg11  1  0.50149604  0.00000127  0.83305569  1.0
  Ir  Ir12  1  0.49994072  0.25196800  0.00162594  1.0
  Ir  Ir13  1  0.49994069  0.74803437  0.00162589  1.0
  Ir  Ir14  1  0.99980202  0.25089504  0.16749697  1.0
  Ir  Ir15  1  0.99980230  0.74910511  0.16749746  1.0
  Ir  Ir16  1  0.49979789  0.24917608  0.33336331  1.0
  Ir  Ir17  1  0.49979786  0.75082512  0.33336316  1.0
  Ir  Ir18  1  0.99990618  0.25093742  0.49921289  1.0
  Ir  Ir19  1  0.99990621  0.74906386  0.49921262  1.0
  Ir  Ir20  1  0.50003605  0.25201817  0.66501513  1.0
  Ir  Ir21  1  0.50003602  0.74798333  0.66501513  1.0
  Ir  Ir22  1  0.00027070  0.25192530  0.83333638  1.0
  Ir  Ir23  1  0.00027075  0.74807669  0.83333618  1.0