data_Ge2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.5
_cell_angle_alpha   112.72
_cell_angle_beta   112.72
_cell_angle_gamma   37.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPb
_chemical_formula_sum   'Ge2 P1 Pb1'
_cell_volume   89.5
_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
  Ge  Ge0  1  0.17  0.0  0.24  1.0
  Ge  Ge1  1  0.8  0.0  0.78  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.99  0.0  0.51  1.0

data_Ge2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.4
_cell_length_c   5.5
_cell_angle_alpha   112.72
_cell_angle_beta   90.0
_cell_angle_gamma   108.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PPb
_chemical_formula_sum   'Ge2 P1 Pb1'
_cell_volume   89.5
_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
  Ge  Ge0  1  0.0  0.2  0.22  1.0
  Ge  Ge1  1  0.0  0.83  0.76  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.01  0.49  1.0

Ge Ge P Pb