data_CdBBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   5.41
_cell_angle_alpha   112.56
_cell_angle_beta   112.56
_cell_angle_gamma   30.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBBr2
_chemical_formula_sum   'Cd1 B1 Br2'
_cell_volume   113.55
_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  0.25  0.0  0.4  1.0
  B  B0  1  0.93  0.0  0.79  1.0
  Br  Br1  1  0.77  0.0  0.01  1.0
  Br  Br2  1  0.23  0.0  0.25  1.0

data_CdBBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.41
_cell_length_c   6.72
_cell_angle_alpha   112.56
_cell_angle_beta   105.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBBr2
_chemical_formula_sum   'Cd1 B1 Br2'
_cell_volume   113.55
_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  Cd0  1  0.0  0.4  0.25  1.0
  B  B1  1  0.0  0.79  0.93  1.0
  Br  Br2  1  0.0  0.01  0.77  1.0
  Br  Br3  1  0.0  0.25  0.23  1.0

Cd B Br Br
Cd B Br Br 0 3 o o o 1 2 o o + 