data_Hf2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   140.52
_cell_angle_beta   124.65
_cell_angle_gamma   70.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InFe
_chemical_formula_sum   'Hf2 In1 Fe1'
_cell_volume   75.83
_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  Hf1  1  0.79  0.0  0.81  1.0
  Hf  Hf2  1  0.0  0.45  0.52  1.0
  In  In3  1  0.0  0.0  0.33  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Hf2InFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.91
_cell_length_c   5.28
_cell_angle_alpha   117.68
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InFe
_chemical_formula_sum   'Hf2 In1 Fe1'
_cell_volume   75.83
_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  0.48  0.93  0.93  1.0
  Hf  Hf1  1  0.98  0.19  0.98  1.0
  In  In2  1  0.67  0.67  0.67  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Hf Hf In Fe