data_AlSnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07
_cell_length_b   10.07
_cell_length_c   10.07
_cell_angle_alpha   21.17
_cell_angle_beta   21.17
_cell_angle_gamma   21.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnBr2
_chemical_formula_sum   'Al1 Sn1 Br2'
_cell_volume   116.69
_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  0.47  1.0
  Sn  Sn3  1  0.0  0.0  0.86  1.0
  Br  Br1  1  0.0  0.0  0.88  1.0
  Br  Br2  1  0.0  0.0  0.6  1.0

data_AlSnBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   3.7
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSnBr2
_chemical_formula_sum   'Al2 Sn2 Br4'
_cell_volume   233.38
_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  0.53  1.0
  Sn  Sn1  2  -0.0  0.0  0.14  1.0
  Br  Br2  2  -0.0  0.0  0.4  1.0
  Br  Br3  2  -0.0  0.0  0.12  1.0

Al Sn Br Br