data_TiCd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.57
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   101.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Fe
_chemical_formula_sum   'Ti1 Cd2 Fe1'
_cell_volume   70.5
_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
  Cd  Cd0  1  0.34  0.28  0.42  1.0
  Cd  Cd1  1  0.39  0.28  0.04  1.0
  Fe  Fe2  1  0.45  0.0  0.73  1.0

data_TiCd2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.57
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   101.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Fe
_chemical_formula_sum   'Ti1 Cd2 Fe1'
_cell_volume   70.5
_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
  Cd  Cd1  1  0.34  0.28  0.42  1.0
  Cd  Cd2  1  0.39  0.28  0.04  1.0
  Fe  Fe3  1  0.45  0.0  0.73  1.0

Ti Cd Cd Fe