data_AlSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Cl
_chemical_formula_sum   'Al1 Sn2 Cl1'
_cell_volume   102.45
_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  0.79  1.0
  Sn  Sn2  1  0.0  0.0  0.26  1.0
  Sn  Sn3  1  0.66  0.66  0.62  1.0
  Cl  Cl1  1  0.66  0.66  0.31  1.0

data_AlSn2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSn2Cl
_chemical_formula_sum   'Al2 Sn4 Cl2'
_cell_volume   204.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.79  1.0
  Sn  Sn1  2  0.0  0.0  0.26  1.0
  Sn  Sn2  2  0.16  0.5  0.62  1.0
  Cl  Cl3  2  0.16  0.5  0.31  1.0

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