data_Os3C10SO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   9.66
_cell_length_c   13.42
_cell_angle_alpha   82.6
_cell_angle_beta   87.63
_cell_angle_gamma   72.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3C10SO10
_chemical_formula_sum   'Os6 C20 S2 O20'
_cell_volume   855.9
_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
  Os  Os0  1  0.07  0.77  0.8  1.0
  Os  Os1  1  0.4  0.07  0.51  1.0
  Os  Os2  1  0.11  0.95  0.2  1.0
  Os  Os3  1  0.18  0.74  0.98  1.0
  Os  Os4  1  0.36  0.89  0.11  1.0
  Os  Os5  1  0.29  0.1  0.33  1.0
  C  C6  1  0.08  0.31  0.33  1.0
  C  C7  1  0.4  0.41  0.21  1.0
  C  C8  1  0.26  0.61  0.61  1.0
  C  C9  1  0.29  0.57  0.12  1.0
  C  C10  1  0.56  0.88  0.54  1.0
  C  C11  1  0.84  0.52  0.53  1.0
  C  C12  1  0.38  0.89  0.38  1.0
  C  C13  1  0.38  0.53  0.98  1.0
  C  C14  1  0.45  0.66  0.27  1.0
  C  C15  1  0.81  0.07  0.09  1.0
  C  C16  1  0.09  0.95  0.92  1.0
  C  C17  1  0.18  0.28  0.19  1.0
  C  C18  1  0.34  0.4  0.94  1.0
  C  C19  1  0.13  0.44  0.37  1.0
  C  C20  1  0.02  0.18  0.04  1.0
  C  C21  1  0.91  0.96  0.77  1.0
  C  C22  1  0.07  0.43  0.1  1.0
  C  C23  1  0.66  0.77  0.22  1.0
  C  C24  1  0.21  0.23  0.7  1.0
  C  C25  1  0.63  0.32  0.78  1.0
  S  S26  1  0.27  0.47  0.68  1.0
  S  S27  1  0.2  0.37  0.63  1.0
  O  O28  1  0.58  0.17  0.5  1.0
  O  O29  1  0.92  0.38  0.15  1.0
  O  O30  1  0.55  0.46  0.16  1.0
  O  O31  1  0.2  0.67  0.35  1.0
  O  O32  1  0.27  0.17  0.95  1.0
  O  O33  1  0.65  0.83  0.41  1.0
  O  O34  1  0.66  0.56  0.02  1.0
  O  O35  1  0.19  0.79  0.41  1.0
  O  O36  1  0.33  0.42  0.16  1.0
  O  O37  1  0.85  0.56  1.0  1.0
  O  O38  1  0.81  0.28  0.29  1.0
  O  O39  1  0.89  0.67  0.81  1.0
  O  O40  1  0.28  0.05  0.9  1.0
  O  O41  1  0.62  0.28  0.31  1.0
  O  O42  1  0.61  0.14  0.09  1.0
  O  O43  1  0.86  0.7  0.22  1.0
  O  O44  1  0.82  0.01  0.9  1.0
  O  O45  1  0.91  1.0  0.17  1.0
  O  O46  1  0.14  0.42  0.15  1.0
  O  O47  1  0.56  0.84  0.14  1.0

data_Os3C10SO10
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.99
_cell_length_b   9.66
_cell_length_c   13.42
_cell_angle_alpha   82.6
_cell_angle_beta   87.63
_cell_angle_gamma   72.36
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Os3C10SO10
_chemical_formula_sum   'Os6 C20 S2 O20'
_cell_volume   855.9
_cell_formula_units_Z   2
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
  Os  Os0  2  0.06  0.68  0.17  1.0
  Os  Os1  2  0.13  0.47  0.95  1.0
  Os  Os2  2  0.16  0.65  0.35  1.0
  C  C3  2  0.02  0.19  0.46  1.0
  C  C4  2  0.06  0.15  0.97  1.0
  C  C5  2  0.1  0.98  0.79  1.0
  C  C6  2  0.14  0.47  0.23  1.0
  C  C7  2  0.15  0.11  0.83  1.0
  C  C8  2  0.17  0.99  0.05  1.0
  C  C9  2  0.22  0.24  0.12  1.0
  C  C10  2  0.32  0.46  0.38  1.0
  C  C11  2  0.4  0.9  0.62  1.0
  C  C12  2  0.43  0.35  0.07  1.0
  S  S13  2  0.03  0.05  0.52  1.0
  O  O14  2  0.03  0.75  0.8  1.0
  O  O15  2  0.05  0.63  0.75  1.0
  O  O16  2  0.09  1.0  0.0  1.0
  O  O17  2  0.32  0.04  0.01  1.0
  O  O18  2  0.33  0.42  0.99  1.0
  O  O19  2  0.35  0.75  0.34  1.0
  O  O20  2  0.37  0.72  0.94  1.0
  O  O21  2  0.39  0.86  0.16  1.0
  O  O22  2  0.42  0.41  0.25  1.0
  O  O23  2  0.42  0.14  0.86  1.0

Os Os Os Os Os Os C C C C C C C C C C C C C C C C C C C C S S O O O O O O O O O O O O O O O O O O O O
Os Os Os Os Os Os C C C C C C C C C C C C C C C C C C C C S S O O O O O O O O O O O O O O O O O O O O 0 39 - o o 0 21 - o o 1 10 o - o 1 28 o o o 2 45 - o o 3 13 o o o 3 9 o o + 3 16 o o o 4 47 o o o 5 12 o - o 5 17 o o o 5 6 o o o 6 19 o o o 7 36 o o o 7 30 o o o 8 26 o o o 8 11 - o o 9 36 o o o 10 33 o o o 10 11 o o o 11 33 o o o 11 19 + o o 11 27 + o o 11 26 + o o 12 35 o o o 12 33 o o o 13 18 o o o 14 31 o o o 14 23 o o o 15 42 o o o 15 45 o - o 15 20 + o o 16 44 - + o 16 40 o + o 17 46 o o o 18 25 o o o 20 32 o o - 21 44 o + o 21 25 o + o 22 46 o o o 22 29 - o o 23 47 o o o 23 43 o o o 24 27 o o o 24 25 o o o 25 27 o o o 25 26 o o o 25 44 o o o 26 27 o o o 31 35 o o o 32 40 o o o 34 37 o o - 38 41 o o o 