data_Al2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   139.66
_cell_angle_beta   129.29
_cell_angle_gamma   66.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InFe
_chemical_formula_sum   'Al2 In1 Fe1'
_cell_volume   63.68
_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
  Al  Al0  1  0.0  0.0  0.4  1.0
  Al  Al1  1  0.0  0.16  0.91  1.0
  In  In3  1  0.74  0.0  0.23  1.0
  Fe  Fe2  1  0.0  0.0  0.34  1.0

data_Al2InFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.33
_cell_length_c   5.05
_cell_angle_alpha   115.35
_cell_angle_beta   110.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InFe
_chemical_formula_sum   'Al2 In1 Fe1'
_cell_volume   63.68
_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
  Al  Al0  1  0.09  0.25  0.25  1.0
  Al  Al1  1  0.6  0.6  0.6  1.0
  In  In2  1  0.51  0.77  0.51  1.0
  Fe  Fe3  1  0.66  0.66  0.66  1.0

Al Al In Fe