data_Ti2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.0
_cell_length_c   2.87
_cell_angle_alpha   79.11
_cell_angle_beta   77.34
_cell_angle_gamma   23.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Cd
_chemical_formula_sum   'Ti2 Cd1'
_cell_volume   55.16
_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  Ti1  1  0.95  0.1  0.34  1.0
  Ti  Ti2  1  0.95  0.1  0.11  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Ti2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   7.0
_cell_angle_alpha   100.89
_cell_angle_beta   100.89
_cell_angle_gamma   94.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Cd
_chemical_formula_sum   'Ti2 Cd1'
_cell_volume   55.16
_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  0.95  0.66  0.05  1.0
  Ti  Ti1  1  0.95  0.89  0.05  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

Ti Ti Cd