data_Al2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InFe
_chemical_formula_sum   'Al2 In1 Fe1'
_cell_volume   67.25
_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  0.45  0.45  0.62  1.0
  Al  Al1  1  0.45  0.45  0.36  1.0
  In  In3  1  0.0  0.0  0.99  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_Al2InFe
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.99
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Al2InFe
_chemical_formula_sum   'Al4 In2 Fe2'
_cell_volume   134.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.13  0.0  0.45  1.0
  In  In1  2  0.5  0.0  0.0  1.0
  Fe  Fe2  2  0.5  0.0  0.0  1.0

Al Al In Fe
Al Al In Fe 0 1 o o o 2 3 o o + 