data_SrSn2H10Br6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86
_cell_length_b   9.86
_cell_length_c   9.21
_cell_angle_alpha   107.68
_cell_angle_beta   107.68
_cell_angle_gamma   78.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSn2H10Br6O5
_chemical_formula_sum   'Sr2 Sn4 H20 Br12 O10'
_cell_volume   807.11
_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
  Sr  Sr46  1  0.91  0.09  0.36  1.0
  Sr  Sr47  1  0.72  0.91  0.12  1.0
  Sn  Sn42  1  0.57  0.36  0.3  1.0
  Sn  Sn43  1  0.76  0.64  0.54  1.0
  Sn  Sn44  1  0.88  0.36  0.93  1.0
  Sn  Sn45  1  0.07  0.64  0.17  1.0
  H  H12  1  0.97  0.22  0.08  1.0
  H  H13  1  0.9  0.49  0.88  1.0
  H  H14  1  0.2  0.15  0.93  1.0
  H  H15  1  0.25  0.15  0.3  1.0
  H  H16  1  0.17  0.34  0.9  1.0
  H  H17  1  0.17  0.95  0.12  1.0
  H  H18  1  0.36  0.66  0.13  1.0
  H  H19  1  0.78  0.78  0.84  1.0
  H  H20  1  0.09  0.51  0.12  1.0
  H  H21  1  0.66  0.95  0.6  1.0
  H  H22  1  0.97  0.05  0.88  1.0
  H  H23  1  0.54  0.49  0.35  1.0
  H  H24  1  0.86  0.22  0.64  1.0
  H  H25  1  0.27  0.34  0.34  1.0
  H  H26  1  0.47  0.05  0.36  1.0
  H  H27  1  0.46  0.66  0.58  1.0
  H  H28  1  0.39  0.85  0.17  1.0
  H  H29  1  0.44  0.85  0.54  1.0
  H  H30  1  0.73  0.51  0.59  1.0
  H  H31  1  0.67  0.78  0.4  1.0
  Br  Br0  1  0.27  0.16  0.32  1.0
  Br  Br1  1  0.17  0.56  0.98  1.0
  Br  Br2  1  0.17  0.7  0.47  1.0
  Br  Br3  1  0.18  0.16  0.92  1.0
  Br  Br4  1  0.28  0.7  0.76  1.0
  Br  Br5  1  0.98  0.44  0.75  1.0
  Br  Br6  1  0.65  0.56  0.73  1.0
  Br  Br7  1  0.36  0.3  0.71  1.0
  Br  Br8  1  0.46  0.84  0.56  1.0
  Br  Br9  1  0.47  0.3  1.0  1.0
  Br  Br10  1  0.46  0.44  0.49  1.0
  Br  Br11  1  0.37  0.84  0.15  1.0
  O  O32  1  0.95  0.09  0.78  1.0
  O  O33  1  0.48  0.97  0.61  1.0
  O  O34  1  0.49  0.09  0.45  1.0
  O  O35  1  0.91  0.54  0.36  1.0
  O  O36  1  0.67  0.03  0.84  1.0
  O  O37  1  0.96  0.97  0.63  1.0
  O  O38  1  0.72  0.46  0.12  1.0
  O  O39  1  0.14  0.91  0.02  1.0
  O  O40  1  0.16  0.03  0.87  1.0
  O  O41  1  0.69  0.91  0.69  1.0

data_SrSn2H10Br6O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.21
_cell_length_b   9.86
_cell_length_c   9.86
_cell_angle_alpha   78.62
_cell_angle_beta   72.32
_cell_angle_gamma   72.32
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrSn2H10Br6O5
_chemical_formula_sum   'Sr2 Sn4 H20 Br12 O10'
_cell_volume   807.11
_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
  Sr  Sr0  2  0.12  0.9  0.91  1.0
  Sn  Sn1  2  0.07  0.25  0.64  1.0
  Sn  Sn2  2  0.3  0.06  0.36  1.0
  H  H3  2  0.07  0.57  0.85  1.0
  H  H4  2  0.1  0.55  0.66  1.0
  H  H5  2  0.12  0.28  0.51  1.0
  H  H6  2  0.12  0.35  0.95  1.0
  H  H7  2  0.16  0.15  0.22  1.0
  H  H8  2  0.3  0.38  0.15  1.0
  H  H9  2  0.34  0.35  0.34  1.0
  H  H10  2  0.35  0.08  0.49  1.0
  H  H11  2  0.36  0.16  0.05  1.0
  H  H12  2  0.4  0.96  0.78  1.0
  Br  Br13  2  0.08  0.55  0.84  1.0
  Br  Br14  2  0.24  0.65  0.3  1.0
  Br  Br15  2  0.25  0.35  0.56  1.0
  Br  Br16  2  0.32  0.36  0.16  1.0
  Br  Br17  2  0.47  0.46  0.7  1.0
  Br  Br18  2  0.49  0.16  0.44  1.0
  O  O19  2  0.12  0.9  0.46  1.0
  O  O20  2  0.22  0.32  0.91  1.0
  O  O21  2  0.37  0.34  0.03  1.0
  O  O22  2  0.39  0.85  0.03  1.0
  O  O23  2  0.45  0.13  0.09  1.0

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