data_Cd3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   153.65
_cell_angle_beta   153.65
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Sb
_chemical_formula_sum   'Cd6 Sb2'
_cell_volume   195.18
_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  Cd0  1  0.0  0.27  0.0  1.0
  Cd  Cd1  1  0.27  0.0  0.0  1.0
  Cd  Cd2  1  0.27  0.0  0.72  1.0
  Cd  Cd3  1  0.0  0.27  0.72  1.0
  Cd  Cd4  1  0.0  0.0  0.53  1.0
  Cd  Cd5  1  0.0  0.0  0.36  1.0
  Sb  Sb6  1  0.0  0.0  0.81  1.0
  Sb  Sb7  1  0.0  0.0  0.07  1.0

data_Cd3Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd3Sb
_chemical_formula_sum   'Cd12 Sb4'
_cell_volume   390.35
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.14  0.14  0.55  1.0
  Cd  Cd1  4  0.14  0.14  0.27  1.0
  Cd  Cd2  2  0.0  0.0  0.47  1.0
  Cd  Cd3  2  0.0  0.0  0.64  1.0
  Sb  Sb4  2  0.0  0.0  0.19  1.0
  Sb  Sb5  2  0.0  0.0  0.93  1.0

Cd Cd Cd Cd Cd Cd Sb Sb
Cd Cd Cd Cd Cd Cd Sb Sb 0 6 o o - 1 6 o o - 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 5 7 o o o 6 7 o o + 