data_AlSnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnBr2
_chemical_formula_sum   'Al1 Sn1 Br2'
_cell_volume   125.48
_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  0.37  1.0
  Sn  Sn3  1  0.01  0.0  0.47  1.0
  Br  Br1  1  0.01  0.0  0.69  1.0
  Br  Br2  1  0.0  0.0  0.49  1.0

data_AlSnBr2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.02
_cell_length_b   6.68
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   AlSnBr2
_chemical_formula_sum   'Al2 Sn2 Br4'
_cell_volume   250.95
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.63  1.0
  Sn  Sn1  2  0.0  0.0  0.53  1.0
  Br  Br2  2  0.0  0.0  0.31  1.0
  Br  Br3  2  0.0  0.0  0.51  1.0

Al Sn Br Br
Al Sn Br Br 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 