data_CdGeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   146.1
_cell_angle_beta   132.14
_cell_angle_gamma   59.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeSb
_chemical_formula_sum   'Cd1 Ge1 Sb1'
_cell_volume   71.42
_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  0.64  1.0
  Ge  Ge1  1  0.0  0.0  0.22  1.0
  Sb  Sb2  1  0.0  0.0  0.5  1.0

data_CdGeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.53
_cell_length_c   5.59
_cell_angle_alpha   113.93
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeSb
_chemical_formula_sum   'Cd1 Ge1 Sb1'
_cell_volume   71.42
_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  0.64  0.64  1.0
  Ge  Ge1  1  0.0  0.22  0.22  1.0
  Sb  Sb2  1  0.0  0.5  0.5  1.0

Cd Ge Sb
Cd Ge Sb 0 2 o o o 1 2 o o o 