data_Cd2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiGe
_chemical_formula_sum   'Cd2 Si1 Ge1'
_cell_volume   82.85
_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  0.42  0.0  0.69  1.0
  Cd  Cd1  1  0.42  0.0  0.27  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.48  1.0

data_Cd2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.01
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiGe
_chemical_formula_sum   'Cd2 Si1 Ge1'
_cell_volume   82.85
_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  0.42  0.27  1.0
  Cd  Cd1  1  0.0  0.42  0.69  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.48  1.0

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