data_HfZrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   140.31
_cell_angle_beta   134.51
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrIr2
_chemical_formula_sum   'Hf1 Zr1 Ir2'
_cell_volume   71.55
_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
  Hf  Hf0  1  0.0  0.09  0.36  1.0
  Zr  Zr3  1  0.0  0.0  0.63  1.0
  Ir  Ir1  1  0.0  0.0  0.23  1.0
  Ir  Ir2  1  0.84  0.0  0.37  1.0

data_HfZrIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.19
_cell_length_c   5.42
_cell_angle_alpha   112.75
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrIr2
_chemical_formula_sum   'Hf1 Zr1 Ir2'
_cell_volume   71.55
_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
  Hf  Hf0  1  0.91  0.27  0.27  1.0
  Zr  Zr1  1  0.0  0.63  0.63  1.0
  Ir  Ir2  1  0.0  0.23  0.23  1.0
  Ir  Ir3  1  0.0  0.37  0.53  1.0

Hf Zr Ir Ir