data_Ti2CdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.45
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   92.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdCl
_chemical_formula_sum   'Ti2 Cd1 Cl1'
_cell_volume   73.26
_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  Ti2  1  0.93  0.72  0.62  1.0
  Ti  Ti3  1  0.87  0.72  0.31  1.0
  Cd  Cd0  1  0.4  0.0  0.47  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ti2CdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.45
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   92.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdCl
_chemical_formula_sum   'Ti2 Cd1 Cl1'
_cell_volume   73.26
_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  0.87  0.72  0.31  1.0
  Ti  Ti1  1  0.93  0.72  0.62  1.0
  Cd  Cd2  1  0.4  0.0  0.47  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ti Ti Cd Cl