data_CdSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Sb
_chemical_formula_sum   'Cd1 Sn2 Sb1'
_cell_volume   107.77
_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  0.47  1.0
  Sn  Sn2  1  0.0  0.0  0.83  1.0
  Sn  Sn3  1  0.97  0.97  0.88  1.0
  Sb  Sb1  1  0.97  0.97  0.21  1.0

data_CdSn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSn2Sb
_chemical_formula_sum   'Cd2 Sn4 Sb2'
_cell_volume   215.53
_cell_formula_units_Z   2
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  2  0.0  0.0  0.47  1.0
  Sn  Sn1  2  0.0  0.0  0.83  1.0
  Sn  Sn2  2  0.47  0.5  0.88  1.0
  Sb  Sb3  2  0.47  0.5  0.21  1.0

Cd Sn Sn Sb
Cd Sn Sn Sb 0 3 - - o 1 2 - - o 