data_CBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   28.2
_cell_angle_beta   28.2
_cell_angle_gamma   28.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CBr2
_chemical_formula_sum   'C1 Br2'
_cell_volume   73.68
_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
  C  C2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.51  1.0
  Br  Br1  1  0.0  0.0  0.22  1.0

data_CBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   3.51
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CBr2
_chemical_formula_sum   'C2 Br4'
_cell_volume   147.36
_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
  C  C0  2  0.0  0.0  0.0  1.0
  Br  Br1  2  0.0  0.0  0.49  1.0
  Br  Br2  2  0.0  0.0  0.78  1.0

C Br Br
C Br Br 0 2 o o o 1 2 o o o 