data_Hg2Pb(SI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.84
_cell_length_b   13.84
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Pb(SI)2
_chemical_formula_sum   'Hg8 Pb4 S8 I8'
_cell_volume   893.41
_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
  Hg  Hg0  1  0.22  0.13  0.33  1.0
  Hg  Hg1  1  0.71  0.22  0.33  1.0
  Hg  Hg2  1  0.63  0.53  0.33  1.0
  Hg  Hg3  1  0.3  0.63  0.33  1.0
  Hg  Hg4  1  0.53  0.21  0.33  1.0
  Hg  Hg5  1  0.21  0.3  0.33  1.0
  Hg  Hg6  1  0.13  0.61  0.33  1.0
  Hg  Hg7  1  0.61  0.71  0.33  1.0
  Pb  Pb16  1  0.88  0.8  0.0  1.0
  Pb  Pb17  1  0.8  0.96  0.0  1.0
  Pb  Pb18  1  0.04  0.88  0.0  1.0
  Pb  Pb19  1  0.96  0.04  0.0  1.0
  S  S20  1  0.64  0.93  0.33  1.0
  S  S21  1  0.93  0.2  0.33  1.0
  S  S22  1  0.01  0.56  0.33  1.0
  S  S23  1  0.56  0.82  0.33  1.0
  S  S24  1  0.28  0.01  0.33  1.0
  S  S25  1  0.82  0.28  0.33  1.0
  S  S26  1  0.9  0.64  0.33  1.0
  S  S27  1  0.2  0.9  0.33  1.0
  I  I8  1  0.0  0.92  0.33  1.0
  I  I9  1  0.92  0.0  0.33  1.0
  I  I10  1  0.92  0.92  0.0  1.0
  I  I11  1  0.12  0.64  0.0  1.0
  I  I12  1  0.2  0.12  0.0  1.0
  I  I13  1  0.0  0.0  0.0  1.0
  I  I14  1  0.64  0.72  0.0  1.0
  I  I15  1  0.72  0.2  0.0  1.0

data_Hg2Pb(SI)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   13.84
_cell_length_c   13.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Pb(SI)2
_chemical_formula_sum   'Hg8 Pb4 S8 I8'
_cell_volume   893.41
_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
  Hg  Hg0  1  0.33  0.13  0.61  1.0
  Hg  Hg1  1  0.33  0.21  0.3  1.0
  Hg  Hg2  1  0.33  0.22  0.13  1.0
  Hg  Hg3  1  0.33  0.3  0.63  1.0
  Hg  Hg4  1  0.33  0.53  0.21  1.0
  Hg  Hg5  1  0.33  0.61  0.71  1.0
  Hg  Hg6  1  0.33  0.63  0.53  1.0
  Hg  Hg7  1  0.33  0.71  0.22  1.0
  Pb  Pb8  1  0.0  0.04  0.88  1.0
  Pb  Pb9  1  0.0  0.8  0.96  1.0
  Pb  Pb10  1  0.0  0.88  0.8  1.0
  Pb  Pb11  1  0.0  0.96  0.04  1.0
  S  S12  1  0.33  0.01  0.56  1.0
  S  S13  1  0.33  0.2  0.9  1.0
  S  S14  1  0.33  0.28  0.01  1.0
  S  S15  1  0.33  0.56  0.82  1.0
  S  S16  1  0.33  0.64  0.93  1.0
  S  S17  1  0.33  0.82  0.28  1.0
  S  S18  1  0.33  0.9  0.64  1.0
  S  S19  1  0.33  0.93  0.2  1.0
  I  I20  1  0.0  0.0  0.0  1.0
  I  I21  1  0.0  0.12  0.64  1.0
  I  I22  1  0.0  0.2  0.12  1.0
  I  I23  1  0.0  0.64  0.72  1.0
  I  I24  1  0.0  0.72  0.2  1.0
  I  I25  1  0.0  0.92  0.92  1.0
  I  I26  1  0.33  0.0  0.92  1.0
  I  I27  1  0.33  0.92  0.0  1.0

Hg Hg Hg Hg Hg Hg Hg Hg Pb Pb Pb Pb S S S S S S S S I I I I I I I I
Hg Hg Hg Hg Hg Hg Hg Hg Pb Pb Pb Pb S S S S S S S S I I I I I I I I 0 24 o o o 0 16 o o o 0 5 o o o 1 27 o o o 1 17 o o o 1 4 o o o 2 7 o o o 3 6 o o o 6 14 o o o 6 23 o o o 7 15 o o o 7 26 o o o 8 22 o o o 9 22 o o o 10 25 o + o 10 20 o o o 10 22 - o o 11 25 + o o 11 21 o o o 11 22 o - o 12 15 o o o 13 17 o o o 14 18 - o o 16 19 o - o 20 22 - o o 20 21 - + o 20 25 o + o 21 22 o - o 21 25 + o o 22 25 + + o 