data_TiIn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Fe
_chemical_formula_sum   'Ti1 In2 Fe1'
_cell_volume   68.96
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.65  0.0  0.72  1.0
  In  In2  1  0.65  0.0  0.24  1.0
  Fe  Fe0  1  0.0  0.0  0.48  1.0

data_TiIn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Fe
_chemical_formula_sum   'Ti1 In2 Fe1'
_cell_volume   68.96
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.65  0.0  0.24  1.0
  In  In2  1  0.65  0.0  0.72  1.0
  Fe  Fe3  1  0.0  0.0  0.48  1.0

Ti In In Fe
Ti In In Fe 0 1 - o - 0 1 o o - 0 0 o + o 0 0 + o o 0 2 - o o 0 2 o o o 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 3 3 o + o 3 3 + o o 