data_CdBBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   33.97
_cell_angle_beta   33.97
_cell_angle_gamma   33.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBBr2
_chemical_formula_sum   'Cd1 B1 Br2'
_cell_volume   98.23
_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
  Cd  Cd3  1  0.0  0.0  0.98  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.15  1.0
  Br  Br2  1  0.0  0.0  0.8  1.0

data_CdBBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.15
_cell_length_b   4.13
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdBBr2
_chemical_formula_sum   'Cd2 B2 Br4'
_cell_volume   196.46
_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
  Cd  Cd0  2  -0.0  0.0  0.02  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  -0.0  0.0  0.85  1.0
  Br  Br3  2  -0.0  0.0  0.2  1.0

Cd B Br Br