data_TiCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   5.51
_cell_angle_alpha   113.82
_cell_angle_beta   113.82
_cell_angle_gamma   27.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdCl2
_chemical_formula_sum   'Ti1 Cd1 Cl2'
_cell_volume   94.9
_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  0.06  0.0  0.5  1.0
  Cl  Cl1  1  0.89  0.0  0.85  1.0
  Cl  Cl2  1  0.23  0.0  0.16  1.0

data_TiCdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.51
_cell_length_c   6.39
_cell_angle_alpha   113.82
_cell_angle_beta   103.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdCl2
_chemical_formula_sum   'Ti1 Cd1 Cl2'
_cell_volume   94.9
_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  0.0  0.5  0.06  1.0
  Cl  Cl2  1  0.0  0.16  0.23  1.0
  Cl  Cl3  1  0.0  0.85  0.89  1.0

Ti Cd Cl Cl