data_CdB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   2.97
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   92.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdB3
_chemical_formula_sum   'Cd1 B3'
_cell_volume   44.29
_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  0.66  0.0  0.14  1.0
  B  B0  1  0.89  0.48  0.02  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.43  0.48  0.26  1.0

data_CdB3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.49
_cell_length_b   2.97
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   92.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdB3
_chemical_formula_sum   'Cd1 B3'
_cell_volume   44.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.66  0.0  0.14  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.43  0.5  0.26  1.0
  B  B3  1  0.89  0.5  0.02  1.0

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