data_Cd5Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Ge
_chemical_formula_sum   'Cd5 Ge1'
_cell_volume   134.75
_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  0.59  0.0  0.7  1.0
  Cd  Cd1  1  0.89  0.54  0.7  1.0
  Cd  Cd2  1  0.21  0.11  0.7  1.0
  Cd  Cd3  1  0.68  0.55  0.0  1.0
  Cd  Cd4  1  0.0  0.1  0.0  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0

data_Cd5Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Ge
_chemical_formula_sum   'Cd5 Ge1'
_cell_volume   134.75
_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  0.1  0.0  1.0
  Cd  Cd1  1  0.21  0.11  0.7  1.0
  Cd  Cd2  1  0.59  0.0  0.7  1.0
  Cd  Cd3  1  0.68  0.55  0.0  1.0
  Cd  Cd4  1  0.89  0.54  0.7  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0

Cd Cd Cd Cd Cd Ge
Cd Cd Cd Cd Cd Ge 0 2 o o o 0 5 + o + 0 4 + o + 0 1 o o o 1 3 o o + 2 5 o o + 2 4 o o + 3 5 + + o 4 5 o o o 