data_AlInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.34
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInFe2
_chemical_formula_sum   'Al1 In1 Fe2'
_cell_volume   59.61
_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  0.99  0.0  0.01  1.0
  In  In3  1  0.04  0.17  0.2  1.0
  Fe  Fe1  1  0.44  0.17  0.7  1.0
  Fe  Fe2  1  0.43  0.0  0.25  1.0

data_AlInFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.34
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlInFe2
_chemical_formula_sum   'Al1 In1 Fe2'
_cell_volume   59.61
_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  0.99  0.0  0.01  1.0
  In  In1  1  0.04  0.17  0.2  1.0
  Fe  Fe2  1  0.43  0.0  0.25  1.0
  Fe  Fe3  1  0.44  0.17  0.7  1.0

Al In Fe Fe