# generated using pymatgen
data_HfIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08857875
_cell_length_b   4.52680855
_cell_length_c   5.08437601
_cell_angle_alpha   90.00000000
_cell_angle_beta   99.25540784
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr
_chemical_formula_sum   'Hf2 Ir2'
_cell_volume   70.16125421
_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  0.41363469  0.25000000  0.22197948  1.0
  Hf  Hf1  1  0.58636531  0.75000000  0.77802052  1.0
  Ir  Ir2  1  0.06169040  0.25000000  0.69303331  1.0
  Ir  Ir3  1  0.93830960  0.75000000  0.30696669  1.0