data_CdBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   149.07
_cell_angle_beta   137.08
_cell_angle_gamma   53.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi2B
_chemical_formula_sum   'Cd1 Bi2 B1'
_cell_volume   100.15
_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  0.0  0.42  0.88  1.0
  Bi  Bi1  1  0.0  0.42  0.95  1.0
  Bi  Bi2  1  0.0  0.0  0.84  1.0
  B  B0  1  0.0  0.0  0.98  1.0

data_CdBi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.83
_cell_length_c   6.6
_cell_angle_alpha   111.46
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi2B
_chemical_formula_sum   'Cd1 Bi2 B1'
_cell_volume   100.15
_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  0.12  0.53  0.53  1.0
  Bi  Bi1  1  0.05  0.46  0.46  1.0
  Bi  Bi2  1  0.16  0.16  0.16  1.0
  B  B3  1  0.02  0.02  0.02  1.0

Cd Bi Bi B