data_Cd2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.45
_cell_angle_alpha   109.74
_cell_angle_beta   109.74
_cell_angle_gamma   48.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeTe
_chemical_formula_sum   'Cd2 Ge1 Te1'
_cell_volume   106.32
_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  0.77  0.0  0.86  1.0
  Cd  Cd1  1  0.23  0.0  0.3  1.0
  Ge  Ge2  1  0.78  0.0  0.42  1.0
  Te  Te3  1  0.55  0.0  0.39  1.0

data_Cd2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.87
_cell_length_c   6.45
_cell_angle_alpha   109.74
_cell_angle_beta   90.0
_cell_angle_gamma   114.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GeTe
_chemical_formula_sum   'Cd2 Ge1 Te1'
_cell_volume   106.32
_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  0.23  0.14  1.0
  Cd  Cd1  1  0.0  0.77  0.7  1.0
  Ge  Ge2  1  0.0  0.22  0.58  1.0
  Te  Te3  1  0.0  0.45  0.61  1.0

Cd Cd Ge Te