data_CBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CBr2
_chemical_formula_sum   'C2 Br4'
_cell_volume   167.07
_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
  C  C4  1  0.19  0.84  0.56  1.0
  C  C5  1  0.0  0.68  0.19  1.0
  Br  Br0  1  0.0  0.0  0.37  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.19  0.84  0.19  1.0
  Br  Br3  1  0.0  0.68  0.56  1.0

data_CBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CBr2
_chemical_formula_sum   'C2 Br4'
_cell_volume   167.07
_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
  C  C0  1  0.19  0.0  0.68  1.0
  C  C1  1  0.56  0.19  0.84  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.19  0.19  0.84  1.0
  Br  Br4  1  0.37  0.0  0.0  1.0
  Br  Br5  1  0.56  0.0  0.68  1.0

C C Br Br Br Br