data_SnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   151.54
_cell_angle_beta   151.54
_cell_angle_gamma   40.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBr2
_chemical_formula_sum   'Sn1 Br2'
_cell_volume   101.24
_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
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.91  1.0
  Br  Br1  1  0.0  0.0  0.43  1.0

data_SnBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   110.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnBr2
_chemical_formula_sum   'Sn2 Br4'
_cell_volume   202.47
_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
  Sn  Sn0  2  0.0  0.0  0.0  1.0
  Br  Br1  2  0.41  0.5  0.91  1.0
  Br  Br2  2  0.43  0.0  0.43  1.0

Sn Br Br
Sn Br Br 0 1 o o - 0 2 o - - 0 2 - o - 0 2 o o o 1 2 o o + 1 2 o o o 2 2 + o + 2 2 o + + 