data_Cd3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   134.42
_cell_angle_beta   134.42
_cell_angle_gamma   66.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3B
_chemical_formula_sum   'Cd3 B1'
_cell_volume   74.55
_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  0.05  0.21  1.0
  Cd  Cd1  1  0.05  0.0  0.21  1.0
  Cd  Cd2  1  0.0  0.0  0.43  1.0
  B  B3  1  0.0  0.0  0.0  1.0

data_Cd3B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   123.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd3B
_chemical_formula_sum   'Cd6 B2'
_cell_volume   149.09
_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  4  0.47  0.47  0.16  1.0
  Cd  Cd1  2  0.0  0.0  0.43  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Cd Cd Cd B