data_Ge3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Pb
_chemical_formula_sum   'Ge12 Pb4'
_cell_volume   369.53
_cell_formula_units_Z   4
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  0.35  0.85  0.92  1.0
  Ge  Ge1  1  0.35  0.85  0.0  1.0
  Ge  Ge2  1  0.65  0.85  0.92  1.0
  Ge  Ge3  1  0.29  0.0  0.92  1.0
  Ge  Ge4  1  0.29  0.0  0.0  1.0
  Ge  Ge5  1  0.65  0.85  0.0  1.0
  Ge  Ge6  1  0.38  0.6  0.37  1.0
  Ge  Ge7  1  0.92  0.11  0.46  1.0
  Ge  Ge8  1  0.62  0.6  0.37  1.0
  Ge  Ge9  1  0.0  0.21  0.37  1.0
  Ge  Ge10  1  0.29  0.49  0.46  1.0
  Ge  Ge11  1  0.67  0.11  0.46  1.0
  Pb  Pb12  1  0.0  0.0  0.92  1.0
  Pb  Pb13  1  0.0  0.0  0.0  1.0
  Pb  Pb14  1  0.29  0.9  0.37  1.0
  Pb  Pb15  1  0.0  0.8  0.46  1.0

data_Ge3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Pb
_chemical_formula_sum   'Ge12 Pb4'
_cell_volume   369.53
_cell_formula_units_Z   4
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  0.21  0.37  1.0
  Ge  Ge1  1  0.29  0.0  0.0  1.0
  Ge  Ge2  1  0.29  0.0  0.92  1.0
  Ge  Ge3  1  0.29  0.49  0.46  1.0
  Ge  Ge4  1  0.35  0.85  0.0  1.0
  Ge  Ge5  1  0.35  0.85  0.92  1.0
  Ge  Ge6  1  0.38  0.6  0.37  1.0
  Ge  Ge7  1  0.62  0.6  0.37  1.0
  Ge  Ge8  1  0.65  0.85  -0.0  1.0
  Ge  Ge9  1  0.65  0.85  0.92  1.0
  Ge  Ge10  1  0.67  0.11  0.46  1.0
  Ge  Ge11  1  0.92  0.11  0.46  1.0
  Pb  Pb12  1  0.0  0.0  0.0  1.0
  Pb  Pb13  1  0.0  0.0  0.92  1.0
  Pb  Pb14  1  0.0  0.8  0.46  1.0
  Pb  Pb15  1  0.29  0.9  0.37  1.0

Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Pb Pb Pb Pb