data_CdGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.72
_cell_angle_alpha   101.08
_cell_angle_beta   101.08
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeSb2
_chemical_formula_sum   'Cd1 Ge1 Sb2'
_cell_volume   99.96
_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  0.72  0.0  0.8  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.83  0.0  0.25  1.0
  Sb  Sb3  1  0.61  0.0  0.36  1.0

data_CdGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.56
_cell_length_c   5.72
_cell_angle_alpha   101.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeSb2
_chemical_formula_sum   'Cd1 Ge1 Sb2'
_cell_volume   99.96
_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  0.28  0.2  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.17  0.75  1.0
  Sb  Sb3  1  0.0  0.39  0.64  1.0

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