data_CdBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBSb2
_chemical_formula_sum   'Cd1 B1 Sb2'
_cell_volume   86.12
_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  Cd1  1  0.82  0.0  0.4  1.0
  B  B0  1  0.0  0.0  0.38  1.0
  Sb  Sb2  1  0.0  0.0  0.05  1.0
  Sb  Sb3  1  0.82  0.0  0.23  1.0

data_CdBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBSb2
_chemical_formula_sum   'Cd1 B1 Sb2'
_cell_volume   86.12
_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  0.82  0.0  0.4  1.0
  B  B1  1  0.0  0.0  0.38  1.0
  Sb  Sb2  1  0.0  0.0  0.05  1.0
  Sb  Sb3  1  0.82  0.0  0.23  1.0

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