data_Sb4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   96.52
_cell_angle_beta   96.52
_cell_angle_gamma   140.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb4Br
_chemical_formula_sum   'Sb4 Br1'
_cell_volume   156.43
_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
  Sb  Sb1  1  0.0  0.69  0.16  1.0
  Sb  Sb2  1  0.57  0.26  0.0  1.0
  Sb  Sb3  1  0.26  0.57  0.0  1.0
  Sb  Sb4  1  0.69  0.0  0.16  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sb4Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   12.05
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb4Br
_chemical_formula_sum   'Sb8 Br2'
_cell_volume   312.86
_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
  Sb  Sb0  4  0.08  0.34  0.0  1.0
  Sb  Sb1  4  0.16  0.16  0.84  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Sb Sb Sb Sb Br
Sb Sb Sb Sb Br 0 1 - o o 0 4 o + o 1 4 o o o 2 3 o + o 2 4 o o o 3 4 + o o 