data_GePb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.95
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   96.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePb2Cl
_chemical_formula_sum   'Ge1 Pb2 Cl1'
_cell_volume   106.17
_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  Ge1  1  0.51  0.0  0.95  1.0
  Pb  Pb2  1  0.03  0.98  0.81  1.0
  Pb  Pb3  1  0.4  0.98  0.1  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_GePb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.95
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   96.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePb2Cl
_chemical_formula_sum   'Ge1 Pb2 Cl1'
_cell_volume   106.17
_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  0.51  0.0  0.95  1.0
  Pb  Pb1  1  0.03  0.98  0.81  1.0
  Pb  Pb2  1  0.4  0.98  0.1  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ge Pb Pb Cl
Ge Pb Pb Cl 0 2 o - + 0 3 + o + 0 3 o o + 1 3 o + + 2 3 o + o 