data_Ge2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.59
_cell_angle_alpha   94.35
_cell_angle_beta   94.35
_cell_angle_gamma   35.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Pb
_chemical_formula_sum   'Ge4 Pb2'
_cell_volume   145.81
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.34  0.0  0.88  1.0
  Ge  Ge1  1  0.76  0.0  0.43  1.0
  Ge  Ge2  1  0.35  0.0  0.69  1.0
  Ge  Ge3  1  0.47  0.0  0.37  1.0
  Pb  Pb4  1  0.91  0.0  0.16  1.0
  Pb  Pb5  1  0.26  0.0  0.11  1.0

data_Ge2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.19
_cell_length_c   6.59
_cell_angle_alpha   94.35
_cell_angle_beta   90.0
_cell_angle_gamma   107.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Pb
_chemical_formula_sum   'Ge4 Pb2'
_cell_volume   145.81
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.0  0.24  0.57  1.0
  Ge  Ge1  1  0.0  0.53  0.63  1.0
  Ge  Ge2  1  0.0  0.65  0.31  1.0
  Ge  Ge3  1  0.0  0.66  0.12  1.0
  Pb  Pb4  1  0.0  0.09  0.84  1.0
  Pb  Pb5  1  0.0  0.74  0.89  1.0

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