data_Sb2Pb2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.09
_cell_length_b   4.01
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2Pb2S5
_chemical_formula_sum   'Sb8 Pb8 S20'
_cell_volume   917.65
_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
  Sb  Sb28  1  0.51  0.01  0.02  1.0
  Sb  Sb29  1  0.53  0.0  0.33  1.0
  Sb  Sb30  1  0.55  0.01  0.05  1.0
  Sb  Sb31  1  0.58  0.0  0.36  1.0
  Sb  Sb32  1  0.42  0.01  0.31  1.0
  Sb  Sb33  1  0.62  0.0  1.0  1.0
  Sb  Sb34  1  0.47  0.01  0.38  1.0
  Sb  Sb35  1  0.66  0.0  0.07  1.0
  Pb  Pb0  1  0.2  0.01  0.89  1.0
  Pb  Pb1  1  0.84  0.0  0.58  1.0
  Pb  Pb2  1  0.25  0.01  0.8  1.0
  Pb  Pb3  1  0.89  0.0  0.48  1.0
  Pb  Pb4  1  0.95  0.01  0.68  1.0
  Pb  Pb5  1  0.09  0.0  0.37  1.0
  Pb  Pb6  1  1.0  0.01  0.01  1.0
  Pb  Pb7  1  0.14  0.0  0.7  1.0
  S  S8  1  0.4  0.01  0.55  1.0
  S  S9  1  0.65  0.0  0.86  1.0
  S  S10  1  0.44  0.01  0.52  1.0
  S  S11  1  0.69  0.0  0.83  1.0
  S  S12  1  0.45  0.01  0.77  1.0
  S  S13  1  0.68  0.0  0.09  1.0
  S  S14  1  0.41  0.01  0.29  1.0
  S  S15  1  0.64  0.0  0.6  1.0
  S  S16  1  0.33  0.01  0.58  1.0
  S  S17  1  0.71  0.0  0.27  1.0
  S  S18  1  0.38  0.01  0.11  1.0
  S  S19  1  0.76  0.0  0.8  1.0
  S  S20  1  0.54  0.01  0.78  1.0
  S  S21  1  0.51  0.0  0.46  1.0
  S  S22  1  0.58  0.01  0.91  1.0
  S  S23  1  0.55  0.0  0.6  1.0
  S  S24  1  0.64  0.01  0.57  1.0
  S  S25  1  0.41  0.0  0.25  1.0
  S  S26  1  0.68  0.01  0.12  1.0
  S  S27  1  0.45  0.0  0.81  1.0

data_Sb2Pb2S5
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   11.38
_cell_length_b   4.01
_cell_length_c   20.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Sb2Pb2S5
_chemical_formula_sum   'Sb8 Pb8 S20'
_cell_volume   917.65
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Sb  Sb0  2  0.12  0.0  0.38  1.0
  Sb  Sb1  2  0.14  0.0  0.49  1.0
  Sb  Sb2  2  0.17  0.0  0.53  1.0
  Sb  Sb3  2  0.19  0.0  0.42  1.0
  Pb  Pb4  2  0.18  0.0  0.05  1.0
  Pb  Pb5  2  0.3  0.0  0.84  1.0
  Pb  Pb6  2  0.39  0.0  0.8  1.0
  Pb  Pb7  2  0.49  0.0  0.91  1.0
  S  S8  2  0.07  0.0  0.36  1.0
  S  S9  2  0.08  0.0  0.67  1.0
  S  S10  2  0.1  0.0  0.36  1.0
  S  S11  2  0.28  0.0  0.46  1.0
  S  S12  2  0.33  0.0  0.4  1.0
  S  S13  2  0.36  0.0  0.35  1.0
  S  S14  2  0.38  0.0  0.59  1.0
  S  S15  2  0.39  0.0  0.29  1.0
  S  S16  2  0.41  0.0  0.51  1.0
  S  S17  2  0.41  0.0  0.59  1.0

Sb Sb Sb Sb Sb Sb Sb Sb Pb Pb Pb Pb Pb Pb Pb Pb S S S S S S S S S S S S S S S S S S S S
Sb Sb Sb Sb Sb Sb Sb Sb Pb Pb Pb Pb Pb Pb Pb Pb S S S S S S S S S S S S S S S S S S S S 0 2 o o o 1 3 o o o 1 6 o o o 2 5 o o - 4 22 o o o 4 6 o o o 5 30 o o o 5 7 o o + 6 29 o o o 7 21 o o o 8 10 o o o 8 14 - o + 8 15 o o o 9 11 o o o 9 12 o o o 10 15 o o o 11 12 o o o 11 13 + o o 12 13 + o o 12 14 o o + 13 14 - o o 13 13 o + o 13 15 o o o 14 15 + o - 14 14 o + o 16 18 o o o 16 24 o o o 17 19 o o o 17 30 o o o 18 29 o o o 19 27 o o o 20 35 o o o 20 28 o o o 21 34 o o o 22 33 o o o 23 32 o o o 23 31 o o o 25 34 o o o 26 33 o o o 28 35 o o o 28 31 o o o 28 30 o o o 29 31 o o o 31 32 o o o 