data_InHg7S6Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   10.78
_cell_length_c   14.09
_cell_angle_alpha   109.7
_cell_angle_beta   105.46
_cell_angle_gamma   92.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg7S6Cl5
_chemical_formula_sum   'In2 Hg14 S12 Cl10'
_cell_volume   1033.09
_cell_formula_units_Z   2
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
  In  In0  1  0.44  0.9  0.09  1.0
  In  In1  1  0.86  0.92  0.56  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.47  0.18  0.88  1.0
  Hg  Hg4  1  0.83  0.64  0.77  1.0
  Hg  Hg5  1  0.54  0.03  0.77  1.0
  Hg  Hg6  1  0.76  0.79  0.88  1.0
  Hg  Hg7  1  0.35  0.34  0.5  1.0
  Hg  Hg8  1  0.94  0.48  0.15  1.0
  Hg  Hg9  1  0.43  0.93  0.87  1.0
  Hg  Hg10  1  0.86  0.89  0.78  1.0
  Hg  Hg11  1  0.92  0.25  0.89  1.0
  Hg  Hg12  1  0.38  0.57  0.76  1.0
  Hg  Hg13  1  0.44  0.89  0.35  1.0
  Hg  Hg14  1  0.86  0.93  0.3  1.0
  Hg  Hg15  1  0.65  0.91  0.32  1.0
  S  S16  1  0.89  0.13  0.75  1.0
  S  S17  1  0.41  0.69  0.89  1.0
  S  S18  1  0.34  0.09  0.72  1.0
  S  S19  1  0.96  0.73  0.93  1.0
  S  S20  1  0.88  0.26  0.75  1.0
  S  S21  1  0.41  0.56  0.9  1.0
  S  S22  1  0.34  0.67  0.8  1.0
  S  S23  1  0.96  0.15  0.85  1.0
  S  S24  1  0.39  0.28  0.2  1.0
  S  S25  1  0.91  0.54  0.44  1.0
  S  S26  1  0.08  0.79  1.0  1.0
  S  S27  1  0.22  0.04  0.65  1.0
  Cl  Cl28  1  0.41  0.36  0.52  1.0
  Cl  Cl29  1  0.89  0.46  0.12  1.0
  Cl  Cl30  1  0.64  0.65  0.73  1.0
  Cl  Cl31  1  0.66  0.17  0.92  1.0
  Cl  Cl32  1  0.99  0.96  0.2  1.0
  Cl  Cl33  1  0.31  0.86  0.45  1.0
  Cl  Cl34  1  0.46  0.37  0.14  1.0
  Cl  Cl35  1  0.84  0.46  0.51  1.0
  Cl  Cl36  1  0.25  0.18  0.24  1.0
  Cl  Cl37  1  0.05  0.64  0.4  1.0

data_InHg7S6Cl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.59
_cell_length_b   10.78
_cell_length_c   14.09
_cell_angle_alpha   109.7
_cell_angle_beta   105.46
_cell_angle_gamma   92.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg7S6Cl5
_chemical_formula_sum   'In2 Hg14 S12 Cl10'
_cell_volume   1033.09
_cell_formula_units_Z   2
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
  In  In0  1  0.44  0.9  0.09  1.0
  In  In1  1  0.86  0.92  0.56  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.35  0.34  0.5  1.0
  Hg  Hg4  1  0.38  0.57  0.76  1.0
  Hg  Hg5  1  0.43  0.93  0.87  1.0
  Hg  Hg6  1  0.44  0.89  0.35  1.0
  Hg  Hg7  1  0.47  0.18  0.88  1.0
  Hg  Hg8  1  0.54  0.03  0.77  1.0
  Hg  Hg9  1  0.65  0.91  0.32  1.0
  Hg  Hg10  1  0.76  0.79  0.88  1.0
  Hg  Hg11  1  0.83  0.64  0.77  1.0
  Hg  Hg12  1  0.86  0.93  0.3  1.0
  Hg  Hg13  1  0.86  0.89  0.78  1.0
  Hg  Hg14  1  0.92  0.25  0.89  1.0
  Hg  Hg15  1  0.94  0.48  0.15  1.0
  S  S16  1  0.08  0.79  1.0  1.0
  S  S17  1  0.22  0.04  0.65  1.0
  S  S18  1  0.34  0.67  0.8  1.0
  S  S19  1  0.34  0.09  0.72  1.0
  S  S20  1  0.39  0.28  0.2  1.0
  S  S21  1  0.41  0.69  0.89  1.0
  S  S22  1  0.41  0.56  0.9  1.0
  S  S23  1  0.88  0.26  0.75  1.0
  S  S24  1  0.89  0.13  0.75  1.0
  S  S25  1  0.91  0.54  0.44  1.0
  S  S26  1  0.96  0.73  0.93  1.0
  S  S27  1  0.96  0.15  0.85  1.0
  Cl  Cl28  1  0.05  0.64  0.4  1.0
  Cl  Cl29  1  0.25  0.18  0.24  1.0
  Cl  Cl30  1  0.31  0.86  0.45  1.0
  Cl  Cl31  1  0.41  0.36  0.52  1.0
  Cl  Cl32  1  0.46  0.37  0.14  1.0
  Cl  Cl33  1  0.64  0.65  0.73  1.0
  Cl  Cl34  1  0.66  0.17  0.92  1.0
  Cl  Cl35  1  0.84  0.46  0.51  1.0
  Cl  Cl36  1  0.89  0.46  0.12  1.0
  Cl  Cl37  1  0.99  0.96  0.2  1.0

In In Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg S S S S S S S S S S S S Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
In In Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg S S S S S S S S S S S S Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 26 o o - 0 2 o + o 0 9 o o - 0 17 o o - 0 15 o o o 1 15 o o o 1 16 o + o 1 10 o o o 1 27 + + o 2 10 - - - 2 6 - - - 2 32 - - o 2 23 - o - 2 26 o - - 2 19 - - - 3 31 o o o 3 5 o o o 3 9 o - o 4 30 o o o 4 6 o o o 4 10 o o o 5 18 o o o 5 31 o o o 5 9 o - o 5 10 o - o 6 30 o o o 6 19 o o o 6 9 o o o 6 10 o o o 7 28 o o o 8 29 o o o 9 22 o o o 9 17 o o o 9 31 o + o 10 30 o o o 10 16 o + o 10 23 o + o 11 23 o o o 12 22 o o o 13 15 o o o 13 33 o o o 14 15 o o o 14 32 o o o 16 20 o o o 16 23 o o o 17 22 o o o 17 21 o o o 18 27 o o o 19 26 + o o 24 36 o o o 24 34 o o o 25 35 o o o 25 37 + o o 