data_Cd3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3B
_chemical_formula_sum   'Cd6 B2'
_cell_volume   145.64
_cell_formula_units_Z   2
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  0.49  0.64  0.94  1.0
  Cd  Cd3  1  0.51  0.64  0.94  1.0
  Cd  Cd4  1  0.0  0.06  0.94  1.0
  Cd  Cd5  1  0.79  0.03  0.98  1.0
  Cd  Cd6  1  0.76  0.03  0.98  1.0
  Cd  Cd7  1  0.27  0.61  0.98  1.0
  B  B0  1  0.27  0.89  0.94  1.0
  B  B1  1  0.0  0.78  0.98  1.0

data_Cd3B
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.92
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd3B
_chemical_formula_sum   'Cd6 B2'
_cell_volume   145.64
_cell_formula_units_Z   2
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  2  0.48  0.35  0.3  1.0
  Cd  Cd1  2  0.48  0.38  0.3  1.0
  Cd  Cd2  2  0.48  0.86  0.73  1.0
  B  B3  2  0.48  0.14  0.55  1.0

Cd Cd Cd Cd Cd Cd B B