data_SbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02
_cell_length_b   8.02
_cell_length_c   8.38
_cell_angle_alpha   107.6
_cell_angle_beta   107.6
_cell_angle_gamma   28.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbBr2
_chemical_formula_sum   'Sb2 Br4'
_cell_volume   247.93
_cell_formula_units_Z   2
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  Sb4  1  0.92  0.0  0.54  1.0
  Sb  Sb5  1  0.24  0.0  0.06  1.0
  Br  Br0  1  0.02  0.0  0.61  1.0
  Br  Br1  1  0.74  0.0  0.26  1.0
  Br  Br2  1  0.06  0.0  0.82  1.0
  Br  Br3  1  0.04  0.0  0.6  1.0

data_SbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   8.02
_cell_length_c   8.38
_cell_angle_alpha   107.6
_cell_angle_beta   90.0
_cell_angle_gamma   104.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbBr2
_chemical_formula_sum   'Sb2 Br4'
_cell_volume   247.93
_cell_formula_units_Z   2
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  Sb0  1  0.0  0.08  0.46  1.0
  Sb  Sb1  1  0.0  0.76  0.94  1.0
  Br  Br2  1  0.0  0.26  0.74  1.0
  Br  Br3  1  0.0  0.94  0.18  1.0
  Br  Br4  1  0.0  0.96  0.4  1.0
  Br  Br5  1  0.0  0.98  0.39  1.0

Sb Sb Br Br Br Br
Sb Sb Br Br Br Br 0 5 + o o 0 2 + o o 0 3 o o o 1 4 o o - 2 5 o o o 2 4 o o o 4 5 o o o 