data_TiSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   7.79
_cell_angle_alpha   156.38
_cell_angle_beta   147.71
_cell_angle_gamma   40.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Cl
_chemical_formula_sum   'Ti1 Sn2 Cl1'
_cell_volume   101.03
_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  0.17  0.56  1.0
  Sn  Sn1  1  0.0  0.17  0.84  1.0
  Sn  Sn2  1  0.0  0.0  0.82  1.0
  Cl  Cl0  1  0.0  0.0  0.71  1.0

data_TiSn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.33
_cell_length_c   7.79
_cell_angle_alpha   106.14
_cell_angle_beta   101.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Cl
_chemical_formula_sum   'Ti1 Sn2 Cl1'
_cell_volume   101.03
_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  0.44  0.6  0.6  1.0
  Sn  Sn1  1  0.16  0.32  0.32  1.0
  Sn  Sn2  1  0.18  0.18  0.18  1.0
  Cl  Cl3  1  0.29  0.29  0.29  1.0

Ti Sn Sn Cl