data_AlInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.27
_cell_angle_alpha   113.97
_cell_angle_beta   113.97
_cell_angle_gamma   36.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInFe2
_chemical_formula_sum   'Al1 In1 Fe2'
_cell_volume   59.04
_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  0.63  0.0  0.89  1.0
  In  In3  1  0.97  0.0  0.98  1.0
  Fe  Fe1  1  0.65  0.0  0.81  1.0
  Fe  Fe2  1  0.21  0.0  0.97  1.0

data_AlInFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.27
_cell_length_c   5.06
_cell_angle_alpha   113.97
_cell_angle_beta   108.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInFe2
_chemical_formula_sum   'Al1 In1 Fe2'
_cell_volume   59.04
_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  0.89  0.63  1.0
  In  In1  1  0.0  0.98  0.97  1.0
  Fe  Fe2  1  0.0  0.81  0.65  1.0
  Fe  Fe3  1  0.0  0.97  0.21  1.0

Al In Fe Fe