data_GePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   149.58
_cell_angle_beta   145.67
_cell_angle_gamma   46.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePb2
_chemical_formula_sum   'Ge1 Pb2'
_cell_volume   83.96
_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  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.34  1.0
  Pb  Pb2  1  0.0  0.0  0.89  1.0

data_GePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.93
_cell_length_c   6.66
_cell_angle_alpha   107.17
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePb2
_chemical_formula_sum   'Ge1 Pb2'
_cell_volume   83.96
_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  0.0  0.0  1.0
  Pb  Pb1  1  0.11  0.11  0.11  1.0
  Pb  Pb2  1  0.66  0.66  0.66  1.0

Ge Pb Pb
Ge Pb Pb 0 2 o o - 0 1 o o o 