data_In2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Fe
_chemical_formula_sum   'In16 Fe8'
_cell_volume   380.42
_cell_formula_units_Z   8
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
  In  In8  1  0.44  0.31  0.31  1.0
  In  In9  1  0.31  0.44  0.31  1.0
  In  In10  1  0.44  0.44  0.44  1.0
  In  In11  1  0.31  0.31  0.44  1.0
  In  In12  1  0.63  0.63  0.48  1.0
  In  In13  1  0.77  0.63  0.63  1.0
  In  In14  1  0.63  0.77  0.63  1.0
  In  In15  1  0.63  0.48  0.63  1.0
  In  In16  1  0.48  0.63  0.63  1.0
  In  In17  1  0.63  0.63  0.77  1.0
  In  In18  1  0.75  0.75  0.9  1.0
  In  In19  1  0.61  0.75  0.75  1.0
  In  In20  1  0.75  0.61  0.75  1.0
  In  In21  1  0.75  0.9  0.75  1.0
  In  In22  1  0.9  0.75  0.75  1.0
  In  In23  1  0.75  0.75  0.61  1.0
  Fe  Fe0  1  0.65  0.65  0.85  1.0
  Fe  Fe1  1  0.85  0.85  0.85  1.0
  Fe  Fe2  1  0.65  0.85  0.65  1.0
  Fe  Fe3  1  0.85  0.65  0.65  1.0
  Fe  Fe4  1  0.73  0.73  0.52  1.0
  Fe  Fe5  1  0.52  0.52  0.52  1.0
  Fe  Fe6  1  0.73  0.52  0.73  1.0
  Fe  Fe7  1  0.52  0.73  0.73  1.0

data_In2Fe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   19.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2Fe
_chemical_formula_sum   'In48 Fe24'
_cell_volume   1141.25
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  In  In0  9  0.04  0.08  0.65  1.0
  In  In1  9  0.05  0.1  0.33  1.0
  In  In2  9  0.05  0.1  0.2  1.0
  In  In3  9  0.1  0.05  0.3  1.0
  In  In4  9  0.1  0.05  0.42  1.0
  In  In5  3  0.0  0.0  0.56  1.0
  Fe  Fe6  9  0.07  0.14  0.28  1.0
  Fe  Fe7  9  0.14  0.07  0.34  1.0
  Fe  Fe8  3  0.0  0.0  0.15  1.0
  Fe  Fe9  3  0.0  0.0  0.48  1.0

In In In In In In In In In In In In In In In In Fe Fe Fe Fe Fe Fe Fe Fe