data_Al2SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   5.09
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnCl
_chemical_formula_sum   'Al2 Sn1 Cl1'
_cell_volume   86.01
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.57  0.54  0.0  1.0
  Sn  Sn3  1  0.0  0.54  0.69  1.0
  Cl  Cl2  1  0.57  0.0  0.69  1.0

data_Al2SnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.09
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnCl
_chemical_formula_sum   'Al2 Sn1 Cl1'
_cell_volume   86.01
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.57  0.54  0.0  1.0
  Sn  Sn2  1  0.0  0.54  0.69  1.0
  Cl  Cl3  1  0.57  0.0  0.69  1.0

Al Al Sn Cl
Al Al Sn Cl 0 1 - - o 0 3 - o - 0 3 o o - 1 2 o o - 1 2 + o - 2 3 - + o 