data_CdB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   144.86
_cell_angle_beta   103.24
_cell_angle_gamma   87.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB2Cl
_chemical_formula_sum   'Cd1 B2 Cl1'
_cell_volume   60.03
_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  0.0  0.0  0.47  1.0
  B  B0  1  0.45  0.0  0.57  1.0
  B  B1  1  0.0  0.98  0.91  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_CdB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   76.76
_cell_angle_beta   72.43
_cell_angle_gamma   72.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB2Cl
_chemical_formula_sum   'Cd1 B2 Cl1'
_cell_volume   60.03
_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  0.0  0.47  1.0
  B  B1  1  0.0  0.55  0.57  1.0
  B  B2  1  0.98  -0.0  0.92  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cd B B Cl
Cd B B Cl 0 2 o - o 0 3 o o o 0 3 o o + 0 1 o o o 2 3 o + + 