data_SnBiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   7.85
_cell_length_c   3.51
_cell_angle_alpha   79.68
_cell_angle_beta   74.77
_cell_angle_gamma   25.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiBr
_chemical_formula_sum   'Sn1 Bi1 Br1'
_cell_volume   90.71
_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  0.22  0.71  0.89  1.0
  Bi  Bi0  1  0.22  0.71  0.93  1.0
  Br  Br1  1  0.22  0.71  0.29  1.0

data_SnBiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   15.05
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   129.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnBiBr
_chemical_formula_sum   'Sn2 Bi2 Br2'
_cell_volume   181.43
_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  0.18  0.0  0.89  1.0
  Bi  Bi1  2  0.14  0.0  0.85  1.0
  Br  Br2  2  0.27  0.5  0.49  1.0

Sn Bi Br