data_Ge2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18
_cell_length_b   10.18
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Pb
_chemical_formula_sum   'Ge4 Pb2'
_cell_volume   149.31
_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  0.94  0.83  0.89  1.0
  Ge  Ge1  1  0.94  0.17  0.96  1.0
  Ge  Ge2  1  0.94  0.1  0.89  1.0
  Ge  Ge3  1  0.94  0.9  0.96  1.0
  Pb  Pb4  1  0.94  0.62  0.89  1.0
  Pb  Pb5  1  0.94  0.38  0.96  1.0

data_Ge2Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.86
_cell_length_b   3.87
_cell_length_c   10.18
_cell_angle_alpha   100.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge2Pb
_chemical_formula_sum   'Ge4 Pb2'
_cell_volume   149.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.46  0.17  0.67  1.0
  Ge  Ge1  2  0.46  0.9  0.4  1.0
  Pb  Pb2  2  0.46  0.38  0.88  1.0

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