data_SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   6.2
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBr
_chemical_formula_sum   'Sn2 Br2'
_cell_volume   115.13
_cell_formula_units_Z   2
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
  Sn  Sn2  1  0.86  0.0  0.13  1.0
  Sn  Sn3  1  0.0  0.1  0.86  1.0
  Br  Br0  1  0.0  0.0  0.45  1.0
  Br  Br1  1  0.86  0.1  0.54  1.0

data_SnBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.72
_cell_length_b   4.99
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnBr
_chemical_formula_sum   'Sn2 Br2'
_cell_volume   115.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Sn  Sn0  2  0.07  0.86  0.55  1.0
  Br  Br1  2  0.07  0.45  0.45  1.0

Sn Sn Br Br