data_SiSnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnBr2
_chemical_formula_sum   'Si1 Sn1 Br2'
_cell_volume   107.56
_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
  Si  Si2  1  0.0  0.0  0.31  1.0
  Sn  Sn3  1  0.81  0.81  0.85  1.0
  Br  Br0  1  0.0  0.0  0.69  1.0
  Br  Br1  1  0.81  0.81  0.71  1.0

data_SiSnBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiSnBr2
_chemical_formula_sum   'Si2 Sn2 Br4'
_cell_volume   215.12
_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
  Si  Si0  2  0.0  0.0  0.31  1.0
  Sn  Sn1  2  0.31  0.5  0.85  1.0
  Br  Br2  2  0.0  0.0  0.69  1.0
  Br  Br3  2  0.31  0.5  0.71  1.0

Si Sn Br Br
Si Sn Br Br 0 1 - - - 0 3 - - o 0 0 + o o 0 0 o + o 0 2 o o o 1 3 o o o 2 3 - - o 