data_CdBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   5.45
_cell_angle_alpha   103.28
_cell_angle_beta   103.28
_cell_angle_gamma   32.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBr2Cl
_chemical_formula_sum   'Cd1 Br2 Cl1'
_cell_volume   134.2
_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  Cd2  1  0.96  0.0  0.65  1.0
  Br  Br0  1  0.09  0.0  0.52  1.0
  Br  Br1  1  0.83  0.0  0.77  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_CdBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.45
_cell_length_c   6.88
_cell_angle_alpha   103.28
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBr2Cl
_chemical_formula_sum   'Cd1 Br2 Cl1'
_cell_volume   134.2
_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  0.65  0.96  1.0
  Br  Br1  1  0.0  0.52  0.09  1.0
  Br  Br2  1  0.0  0.77  0.83  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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