data_Ge(PbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   9.33
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge(PbS2)2
_chemical_formula_sum   'Ge4 Pb8 S16'
_cell_volume   753.38
_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  0.79  0.78  0.06  1.0
  Ge  Ge1  1  0.11  0.45  0.9  1.0
  Ge  Ge2  1  0.56  0.88  0.03  1.0
  Ge  Ge3  1  0.88  0.55  0.87  1.0
  Pb  Pb4  1  0.63  0.21  0.51  1.0
  Pb  Pb5  1  0.11  0.71  0.6  1.0
  Pb  Pb6  1  0.79  0.05  0.37  1.0
  Pb  Pb7  1  0.27  0.88  0.46  1.0
  Pb  Pb8  1  0.4  0.45  0.48  1.0
  Pb  Pb9  1  0.88  0.28  0.57  1.0
  Pb  Pb10  1  0.56  0.62  0.34  1.0
  Pb  Pb11  1  0.04  0.12  0.43  1.0
  S  S12  1  0.2  0.43  0.55  1.0
  S  S13  1  0.07  0.57  0.95  1.0
  S  S14  1  0.44  0.12  0.27  1.0
  S  S15  1  0.43  0.83  0.04  1.0
  S  S16  1  0.46  0.49  0.93  1.0
  S  S17  1  0.46  0.46  0.7  1.0
  S  S18  1  0.82  0.91  0.02  1.0
  S  S19  1  0.7  0.1  0.42  1.0
  S  S20  1  0.97  0.24  0.52  1.0
  S  S21  1  0.85  0.43  0.92  1.0
  S  S22  1  0.21  0.87  0.24  1.0
  S  S23  1  0.2  0.84  0.01  1.0
  S  S24  1  0.24  0.5  0.89  1.0
  S  S25  1  0.23  0.21  0.66  1.0
  S  S26  1  0.6  0.76  0.98  1.0
  S  S27  1  0.47  0.9  0.38  1.0

data_Ge(PbS2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.13
_cell_length_b   9.33
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   110.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge(PbS2)2
_chemical_formula_sum   'Ge4 Pb8 S16'
_cell_volume   753.38
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.78  0.94  1.0
  Ge  Ge1  2  0.36  0.88  0.9  1.0
  Pb  Pb2  2  0.05  0.62  0.6  1.0
  Pb  Pb3  2  0.14  0.95  0.37  1.0
  Pb  Pb4  2  0.25  0.55  0.54  1.0
  Pb  Pb5  2  0.44  0.79  0.51  1.0
  S  S6  2  0.02  0.84  0.93  1.0
  S  S7  2  0.09  0.43  0.45  1.0
  S  S8  2  0.17  0.17  0.04  1.0
  S  S9  2  0.2  0.46  0.3  1.0
  S  S10  2  0.24  0.91  0.98  1.0
  S  S11  2  0.28  0.24  0.42  1.0
  S  S12  2  0.39  0.21  0.27  1.0
  S  S13  2  0.44  0.76  0.95  1.0

Ge Ge Ge Ge Pb Pb Pb Pb Pb Pb Pb Pb S S S S S S S S S S S S S S S S