data_AlIn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   132.79
_cell_angle_beta   132.79
_cell_angle_gamma   68.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2Fe
_chemical_formula_sum   'Al1 In2 Fe1'
_cell_volume   74.89
_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  0.0  1.0
  In  In2  1  0.09  0.0  0.15  1.0
  In  In3  1  0.0  0.09  0.15  1.0
  Fe  Fe1  1  0.0  0.0  0.3  1.0

data_AlIn2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   124.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlIn2Fe
_chemical_formula_sum   'Al2 In4 Fe2'
_cell_volume   149.77
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  4  0.46  0.46  0.06  1.0
  Fe  Fe2  2  0.0  0.0  0.3  1.0

Al In In Fe