data_Cd2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeTe
_chemical_formula_sum   'Cd2 Ge1 Te1'
_cell_volume   106.93
_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  0.63  1.0
  Cd  Cd1  1  0.13  0.13  0.85  1.0
  Ge  Ge2  1  0.0  0.0  0.62  1.0
  Te  Te3  1  0.13  0.13  0.77  1.0

data_Cd2GeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2GeTe
_chemical_formula_sum   'Cd4 Ge2 Te2'
_cell_volume   213.86
_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  0.63  1.0
  Cd  Cd1  2  0.13  0.0  0.85  1.0
  Ge  Ge2  2  0.0  0.0  0.62  1.0
  Te  Te3  2  0.13  0.0  0.77  1.0

Cd Cd Ge Te
Cd Cd Ge Te 0 2 o o o 1 3 o o o 