data_HfIn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Ir
_chemical_formula_sum   'Hf1 In2 Ir1'
_cell_volume   78.93
_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  0.0  0.0  1.0
  In  In1  1  0.44  0.25  0.53  1.0
  In  In2  1  0.44  0.75  0.53  1.0
  Ir  Ir3  1  0.87  0.0  0.0  1.0

data_HfIn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   114.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Ir
_chemical_formula_sum   'Hf1 In2 Ir1'
_cell_volume   78.93
_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  0.0  0.0  1.0
  In  In1  1  0.53  0.44  0.25  1.0
  In  In2  1  0.53  0.44  0.75  1.0
  Ir  Ir3  1  0.0  0.87  0.0  1.0

Hf In In Ir