data_Si3H9N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.09
_cell_length_c   8.5
_cell_angle_alpha   95.41
_cell_angle_beta   99.38
_cell_angle_gamma   118.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3H9N
_chemical_formula_sum   'Si6 H18 N2'
_cell_volume   359.66
_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
  Si  Si0  1  0.3  0.55  0.67  1.0
  Si  Si1  1  0.93  1.0  0.55  1.0
  Si  Si2  1  0.18  0.29  0.21  1.0
  Si  Si3  1  0.05  0.25  0.0  1.0
  Si  Si4  1  0.2  0.11  0.95  1.0
  Si  Si5  1  0.04  0.43  0.27  1.0
  H  H6  1  0.55  0.49  0.18  1.0
  H  H7  1  0.69  0.05  0.03  1.0
  H  H8  1  0.49  0.95  0.6  1.0
  H  H9  1  0.75  0.6  0.62  1.0
  H  H10  1  0.62  0.3  0.21  1.0
  H  H11  1  0.61  0.24  0.01  1.0
  H  H12  1  0.33  0.37  0.8  1.0
  H  H13  1  0.9  0.17  0.42  1.0
  H  H14  1  0.9  0.33  0.98  1.0
  H  H15  1  0.34  0.21  0.24  1.0
  H  H16  1  0.28  0.05  0.58  1.0
  H  H17  1  0.95  0.49  0.64  1.0
  H  H18  1  0.5  0.76  0.3  1.0
  H  H19  1  0.73  0.78  0.92  1.0
  H  H20  1  0.21  0.29  0.77  1.0
  H  H21  1  0.02  0.25  0.45  1.0
  H  H22  1  0.7  0.64  0.77  1.0
  H  H23  1  0.53  0.91  0.45  1.0
  N  N24  1  0.73  0.79  0.17  1.0
  N  N25  1  0.5  0.76  0.05  1.0

data_Si3H9N
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.04
_cell_length_b   7.09
_cell_length_c   8.5
_cell_angle_alpha   95.41
_cell_angle_beta   99.38
_cell_angle_gamma   118.78
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Si3H9N
_chemical_formula_sum   'Si6 H18 N2'
_cell_volume   359.66
_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
  Si  Si0  2  0.06  0.02  0.11  1.0
  Si  Si1  2  0.08  0.84  0.84  1.0
  Si  Si2  2  0.19  0.27  0.56  1.0
  H  H3  2  0.09  0.02  0.66  1.0
  H  H4  2  0.17  0.78  0.47  1.0
  H  H5  2  0.22  0.1  0.69  1.0
  H  H6  2  0.22  0.94  0.13  1.0
  H  H7  2  0.37  0.67  0.49  1.0
  H  H8  2  0.38  0.49  0.19  1.0
  H  H9  2  0.41  0.63  0.34  1.0
  H  H10  2  0.43  0.22  0.08  1.0
  H  H11  2  0.49  0.97  0.9  1.0
  N  N12  2  0.39  0.49  0.94  1.0

Si Si Si Si Si Si H H H H H H H H H H H H H H H H H H N N
Si Si Si Si Si Si H H H H H H H H H H H H H H H H H H N N 0 20 o o o 0 12 o o o 0 17 - o o 1 21 + + o 1 13 o + o 1 16 + + o 2 3 o o o 2 5 o o o 2 15 o o o 3 14 - o - 3 4 o o - 4 20 o o o 4 12 o o o 5 13 - o o 5 21 o o o 6 15 o o o 6 10 o o o 6 24 o o o 7 25 o - o 7 11 o o o 7 14 o o - 8 23 o o o 8 16 o + o 9 22 o o o 9 17 o o o 10 15 o o o 10 11 o o o 11 14 o o - 12 20 o o o 13 21 + o o 18 23 o o o 18 24 o o o 18 25 o o o 19 22 o o o 19 24 o o + 19 25 o o + 24 25 o o o 