data_CdSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02
_cell_length_b   10.02
_cell_length_c   10.02
_cell_angle_alpha   20.4
_cell_angle_beta   20.4
_cell_angle_gamma   20.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiSb2
_chemical_formula_sum   'Cd1 Si1 Sb2'
_cell_volume   106.92
_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  0.71  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.96  1.0
  Sb  Sb2  1  0.0  0.0  0.46  1.0

data_CdSiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   3.55
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSiSb2
_chemical_formula_sum   'Cd2 Si2 Sb4'
_cell_volume   213.85
_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  0.29  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.0  0.0  0.54  1.0
  Sb  Sb3  2  0.0  0.0  0.04  1.0

Cd Si Sb Sb
Cd Si Sb Sb 0 3 o o o 0 1 o o + 0 2 o o o 1 2 o o - 