data_AlSnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnBr
_chemical_formula_sum   'Al1 Sn1 Br1'
_cell_volume   75.26
_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  0.46  1.0
  Sn  Sn2  1  0.58  0.49  0.01  1.0
  Br  Br1  1  0.0  0.98  0.79  1.0

data_AlSnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnBr
_chemical_formula_sum   'Al1 Sn1 Br1'
_cell_volume   75.26
_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  0.46  0.0  0.0  1.0
  Sn  Sn1  1  0.01  0.58  0.49  1.0
  Br  Br2  1  0.79  -0.0  0.98  1.0

Al Sn Br