data_TiMnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   4.08
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnFe2
_chemical_formula_sum   'Ti1 Mn1 Fe2'
_cell_volume   48.74
_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  0.06  0.0  0.52  1.0
  Mn  Mn2  1  0.89  0.04  0.28  1.0
  Fe  Fe0  1  0.54  0.04  0.05  1.0
  Fe  Fe1  1  0.72  0.0  0.18  1.0

data_TiMnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.08
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnFe2
_chemical_formula_sum   'Ti1 Mn1 Fe2'
_cell_volume   48.74
_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  0.06  0.0  0.52  1.0
  Mn  Mn1  1  0.89  0.04  0.28  1.0
  Fe  Fe2  1  0.54  0.04  0.05  1.0
  Fe  Fe3  1  0.72  0.0  0.18  1.0

Ti Mn Fe Fe