data_CdSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   17.69
_cell_angle_beta   17.69
_cell_angle_gamma   17.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2Sb
_chemical_formula_sum   'Cd1 Si2 Sb1'
_cell_volume   83.79
_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
  Si  Si2  1  0.0  0.0  0.58  1.0
  Si  Si3  1  0.0  0.0  0.33  1.0
  Sb  Sb1  1  0.0  0.0  0.96  1.0

data_CdSi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.11
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSi2Sb
_chemical_formula_sum   'Cd2 Si4 Sb2'
_cell_volume   167.57
_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  0.0  1.0
  Si  Si1  2  -0.0  0.0  0.67  1.0
  Si  Si2  2  -0.0  0.0  0.42  1.0
  Sb  Sb3  2  -0.0  0.0  0.04  1.0

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