data_Si2SnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   21.96
_cell_angle_beta   21.96
_cell_angle_gamma   21.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnBr
_chemical_formula_sum   'Si2 Sn1 Br1'
_cell_volume   89.88
_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  Si1  1  0.0  0.0  0.77  1.0
  Si  Si2  1  0.0  0.0  0.63  1.0
  Sn  Sn3  1  0.0  0.0  0.2  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Si2SnBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   3.43
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SnBr
_chemical_formula_sum   'Si4 Sn2 Br2'
_cell_volume   179.76
_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  0.23  1.0
  Si  Si1  2  0.0  0.0  0.37  1.0
  Sn  Sn2  2  0.0  0.0  0.8  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Si Si Sn Br