data_In3Fe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   50.51
_cell_angle_beta   50.51
_cell_angle_gamma   50.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Fe2
_chemical_formula_sum   'In6 Fe4'
_cell_volume   200.43
_cell_formula_units_Z   2
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  In4  1  0.24  0.38  0.78  1.0
  In  In5  1  0.19  0.39  0.78  1.0
  In  In6  1  0.57  0.24  0.78  1.0
  In  In7  1  0.43  0.76  0.89  1.0
  In  In8  1  0.81  0.61  0.89  1.0
  In  In9  1  0.76  0.62  0.89  1.0
  Fe  Fe0  1  0.0  0.0  0.82  1.0
  Fe  Fe1  1  0.0  0.0  0.17  1.0
  Fe  Fe2  1  0.0  0.0  0.49  1.0
  Fe  Fe3  1  0.0  0.0  0.84  1.0

data_In3Fe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   7.15
_cell_angle_alpha   64.74
_cell_angle_beta   64.74
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In3Fe2
_chemical_formula_sum   'In6 Fe4'
_cell_volume   200.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  In0  2  0.24  0.94  0.74  1.0
  In  In1  2  0.38  0.94  0.94  1.0
  In  In2  2  0.39  0.94  0.98  1.0
  Fe  Fe3  2  0.0  0.01  0.49  1.0
  Fe  Fe4  2  0.0  0.34  0.16  1.0

In In In In In In Fe Fe Fe Fe
In In In In In In Fe Fe Fe Fe 0 1 o o o 0 2 o o o 0 7 o o + 1 2 o o o 1 7 o o + 2 8 + o o 3 5 o o o 3 4 o o o 3 7 o + + 4 5 o o o 4 8 + + o 5 8 + + o 6 9 o o o 6 7 o o + 6 8 o o o 7 9 o o - 7 8 o o o 8 9 o o o 