data_CdGeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   7.9
_cell_length_c   3.2
_cell_angle_alpha   81.88
_cell_angle_beta   75.07
_cell_angle_gamma   23.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeTe
_chemical_formula_sum   'Cd1 Ge1 Te1'
_cell_volume   74.78
_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  0.89  0.58  0.17  1.0
  Ge  Ge1  1  0.89  0.58  0.15  1.0
  Te  Te2  1  0.89  0.58  0.01  1.0

data_CdGeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.78
_cell_length_b   15.33
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   126.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGeTe
_chemical_formula_sum   'Cd2 Ge2 Te2'
_cell_volume   149.56
_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  0.35  0.0  0.94  1.0
  Ge  Ge1  2  0.38  0.0  0.96  1.0
  Te  Te2  2  0.02  0.5  0.1  1.0

Cd Ge Te
Cd Ge Te 0 1 o o o 0 2 o o o 1 2 o o o 