data_Si4Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   92.72
_cell_angle_beta   92.72
_cell_angle_gamma   154.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si4Br5
_chemical_formula_sum   'Si4 Br5'
_cell_volume   210.59
_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  Si5  1  0.0  0.87  0.0  1.0
  Si  Si6  1  0.0  0.14  0.0  1.0
  Si  Si7  1  0.14  0.0  0.0  1.0
  Si  Si8  1  0.87  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.15  0.85  0.74  1.0
  Br  Br2  1  0.85  0.15  0.74  1.0
  Br  Br3  1  0.65  0.65  0.0  1.0
  Br  Br4  1  0.85  0.85  0.74  1.0

data_Si4Br5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.47
_cell_length_b   15.57
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   102.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si4Br5
_chemical_formula_sum   'Si8 Br10'
_cell_volume   421.18
_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  4  0.06  0.06  -0.0  1.0
  Si  Si1  4  0.43  0.43  -0.0  1.0
  Br  Br2  4  0.24  0.35  0.74  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0
  Br  Br4  2  0.35  0.0  -0.0  1.0
  Br  Br5  2  0.39  0.5  0.74  1.0

Si Si Si Si Br Br Br Br Br