data_TiInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.09
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInFe2
_chemical_formula_sum   'Ti1 In1 Fe2'
_cell_volume   61.07
_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  0.59  0.0  0.21  1.0
  In  In2  1  0.08  0.04  0.54  1.0
  Fe  Fe0  1  0.17  0.04  0.04  1.0
  Fe  Fe1  1  0.99  0.0  0.13  1.0

data_TiInFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.09
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInFe2
_chemical_formula_sum   'Ti1 In1 Fe2'
_cell_volume   61.07
_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  0.59  0.0  0.21  1.0
  In  In1  1  0.08  0.04  0.54  1.0
  Fe  Fe2  1  0.17  0.04  0.04  1.0
  Fe  Fe3  1  0.99  0.0  0.13  1.0

Ti In Fe Fe