# generated using pymatgen
data_Hf3AlSi2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57194134
_cell_length_b   7.57194100
_cell_length_c   7.57194203
_cell_angle_alpha   129.74777695
_cell_angle_beta   116.25719122
_cell_angle_gamma   85.30736109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3AlSi2Ir3
_chemical_formula_sum   'Hf6 Al2 Si4 Ir6'
_cell_volume   286.33903865
_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
  Hf  Hf0  1  0.47008415  0.69331859  0.72323445  1.0
  Hf  Hf1  1  0.52991585  0.25314930  0.22323445  1.0
  Hf  Hf2  1  0.74998988  0.81361483  0.56362495  1.0
  Hf  Hf3  1  0.25001012  0.81363707  0.06362495  1.0
  Hf  Hf4  1  0.03003289  0.25334443  0.72331055  1.0
  Hf  Hf5  1  0.96996711  0.69327766  0.22331055  1.0
  Al  Al6  1  0.25001436  0.25308512  0.50307176  1.0
  Al  Al7  1  0.74998564  0.25305740  0.00307176  1.0
  Si  Si8  1  0.33334604  0.58664967  0.25326727  1.0
  Si  Si9  1  0.66665396  0.91992123  0.25330363  1.0
  Si  Si10  1  0.16661760  0.91992123  0.75326727  1.0
  Si  Si11  1  0.83338240  0.58664967  0.75330363  1.0
  Ir  Ir12  1  0.50000000  0.50386642  0.00386642  1.0
  Ir  Ir13  1  1.00000000  0.50386642  0.50386642  1.0
  Ir  Ir14  1  0.12537407  0.25343501  0.12806003  1.0
  Ir  Ir15  1  0.87462593  0.00268595  0.12806094  1.0
  Ir  Ir16  1  0.37462501  0.00268595  0.62806003  1.0
  Ir  Ir17  1  0.62537499  0.25343501  0.62806094  1.0