data_HfInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   144.39
_cell_angle_beta   130.3
_cell_angle_gamma   62.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInFe2
_chemical_formula_sum   'Hf1 In1 Fe2'
_cell_volume   65.08
_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  Hf2  1  0.62  0.0  0.41  1.0
  In  In3  1  0.0  0.0  0.93  1.0
  Fe  Fe0  1  0.62  0.0  0.2  1.0
  Fe  Fe1  1  0.0  0.0  0.02  1.0

data_HfInFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.45
_cell_length_c   5.29
_cell_angle_alpha   114.85
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInFe2
_chemical_formula_sum   'Hf1 In1 Fe2'
_cell_volume   65.08
_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  0.41  0.79  1.0
  In  In1  1  0.0  0.93  0.93  1.0
  Fe  Fe2  1  0.0  0.02  0.02  1.0
  Fe  Fe3  1  0.0  0.2  0.59  1.0

Hf In Fe Fe