data_TiSnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   29.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnCl2
_chemical_formula_sum   'Ti1 Sn1 Cl2'
_cell_volume   93.22
_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  0.84  1.0
  Sn  Sn2  1  0.35  0.0  0.26  1.0
  Cl  Cl0  1  0.35  0.0  0.71  1.0
  Cl  Cl1  1  0.0  0.0  0.59  1.0

data_TiSnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.7
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnCl2
_chemical_formula_sum   'Ti1 Sn1 Cl2'
_cell_volume   93.22
_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  0.16  0.0  0.16  1.0
  Sn  Sn1  1  0.74  0.35  0.74  1.0
  Cl  Cl2  1  0.29  0.35  0.29  1.0
  Cl  Cl3  1  0.41  0.0  0.41  1.0

Ti Sn Cl Cl