data_Cd2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.69
_cell_angle_alpha   102.09
_cell_angle_beta   102.09
_cell_angle_gamma   35.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiSb
_chemical_formula_sum   'Cd2 Bi1 Sb1'
_cell_volume   108.69
_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  0.87  0.0  0.2  1.0
  Cd  Cd2  1  0.02  0.0  0.35  1.0
  Bi  Bi0  1  0.94  0.0  0.77  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Cd2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.69
_cell_length_c   5.84
_cell_angle_alpha   102.09
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiSb
_chemical_formula_sum   'Cd2 Bi1 Sb1'
_cell_volume   108.69
_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  0.2  0.87  1.0
  Cd  Cd1  1  0.0  0.35  0.02  1.0
  Bi  Bi2  1  0.0  0.77  0.94  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Cd Cd Bi Sb
Cd Cd Bi Sb 0 1 + o o 0 3 + o o 2 3 + o + 