data_Si2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   8.31
_cell_angle_alpha   26.89
_cell_angle_beta   26.89
_cell_angle_gamma   26.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbBr
_chemical_formula_sum   'Si2 Sb1 Br1'
_cell_volume   103.61
_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  0.65  1.0
  Si  Si3  1  0.0  0.0  0.45  1.0
  Sb  Sb1  1  0.0  0.0  0.19  1.0
  Br  Br0  1  0.0  0.0  0.76  1.0

data_Si2SbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   3.87
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SbBr
_chemical_formula_sum   'Si4 Sb2 Br2'
_cell_volume   207.22
_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  0.35  1.0
  Si  Si1  2  0.0  0.0  0.55  1.0
  Sb  Sb2  2  0.0  0.0  0.81  1.0
  Br  Br3  2  0.0  0.0  0.24  1.0

Si Si Sb Br