data_InFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   148.77
_cell_angle_beta   148.77
_cell_angle_gamma   44.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2
_chemical_formula_sum   'In2 Fe4'
_cell_volume   99.16
_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  0.0  0.0  0.0  1.0
  In  In5  1  0.0  0.93  0.32  1.0
  Fe  Fe0  1  0.0  0.0  0.75  1.0
  Fe  Fe1  1  0.93  0.0  0.21  1.0
  Fe  Fe2  1  0.0  0.0  0.52  1.0
  Fe  Fe3  1  0.93  0.0  0.43  1.0

data_InFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   7.18
_cell_angle_alpha   105.62
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2
_chemical_formula_sum   'In2 Fe4'
_cell_volume   99.16
_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  In0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.39  0.32  0.39  1.0
  Fe  Fe2  1  0.21  0.27  0.27  1.0
  Fe  Fe3  1  0.43  0.5  0.5  1.0
  Fe  Fe4  1  0.52  0.52  0.52  1.0
  Fe  Fe5  1  0.75  0.75  0.75  1.0

In In Fe Fe Fe Fe