data_CdBi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi5
_chemical_formula_sum   'Cd1 Bi5'
_cell_volume   184.29
_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  Cd5  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.24  0.0  0.84  1.0
  Bi  Bi1  1  0.94  0.63  0.84  1.0
  Bi  Bi2  1  0.88  0.67  0.84  1.0
  Bi  Bi3  1  0.06  0.77  0.0  1.0
  Bi  Bi4  1  0.0  0.53  0.0  1.0

data_CdBi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.69
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBi5
_chemical_formula_sum   'Cd1 Bi5'
_cell_volume   184.29
_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  Cd0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  -0.0  0.06  0.77  1.0
  Bi  Bi2  1  0.0  0.0  0.53  1.0
  Bi  Bi3  1  0.84  0.24  0.0  1.0
  Bi  Bi4  1  0.84  0.88  0.67  1.0
  Bi  Bi5  1  0.84  0.94  0.63  1.0

Cd Bi Bi Bi Bi Bi
Cd Bi Bi Bi Bi Bi 0 3 - - - 0 4 o - o 0 1 o o - 1 4 o - + 2 3 o o o 2 4 + o + 2 5 + o + 3 4 + o + 4 5 o o o 