data_GeSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   10.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbPb2
_chemical_formula_sum   'Ge1 Sb1 Pb2'
_cell_volume   112.71
_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  0.86  1.0
  Sb  Sb3  1  0.89  0.0  0.03  1.0
  Pb  Pb1  1  0.89  0.0  0.22  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0

data_GeSbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   10.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbPb2
_chemical_formula_sum   'Ge1 Sb1 Pb2'
_cell_volume   112.71
_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  0.86  1.0
  Sb  Sb1  1  0.89  0.0  0.03  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.89  0.0  0.22  1.0

Ge Sb Pb Pb
Ge Sb Pb Pb 0 3 o o + 1 3 + o o 1 2 o o o 2 3 + o o 