data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   4.14
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si6 O12'
_cell_volume   133.76
_cell_formula_units_Z   6
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  Si12  1  0.49  0.07  0.41  1.0
  Si  Si13  1  0.24  0.02  0.98  1.0
  Si  Si14  1  0.93  0.09  0.43  1.0
  Si  Si15  1  0.0  0.0  0.0  1.0
  Si  Si16  1  0.73  0.05  0.4  1.0
  Si  Si17  1  0.42  0.12  0.85  1.0
  O  O0  1  0.88  0.96  0.48  1.0
  O  O1  1  0.95  0.89  0.69  1.0
  O  O2  1  0.73  0.13  0.23  1.0
  O  O3  1  0.45  0.2  0.19  1.0
  O  O4  1  0.19  0.96  0.55  1.0
  O  O5  1  0.3  0.03  0.93  1.0
  O  O6  1  0.36  0.11  0.9  1.0
  O  O7  1  0.47  0.18  0.28  1.0
  O  O8  1  0.21  0.94  0.64  1.0
  O  O9  1  0.93  0.01  0.6  1.0
  O  O10  1  0.71  0.25  0.14  1.0
  O  O11  1  0.78  0.18  0.35  1.0

data_SiO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.94
_cell_length_c   6.69
_cell_angle_alpha   102.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si6 O12'
_cell_volume   133.76
_cell_formula_units_Z   6
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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.02  0.98  0.24  1.0
  Si  Si2  1  0.05  0.4  0.73  1.0
  Si  Si3  1  0.07  0.41  0.49  1.0
  Si  Si4  1  0.09  0.43  0.93  1.0
  Si  Si5  1  0.12  0.85  0.42  1.0
  O  O6  1  0.01  0.6  0.93  1.0
  O  O7  1  0.03  0.93  0.3  1.0
  O  O8  1  0.11  0.9  0.36  1.0
  O  O9  1  0.13  0.23  0.73  1.0
  O  O10  1  0.18  0.35  0.78  1.0
  O  O11  1  0.18  0.28  0.47  1.0
  O  O12  1  0.2  0.19  0.45  1.0
  O  O13  1  0.25  0.14  0.71  1.0
  O  O14  1  0.89  0.69  0.95  1.0
  O  O15  1  0.94  0.64  0.21  1.0
  O  O16  1  0.96  0.55  0.19  1.0
  O  O17  1  0.96  0.48  0.88  1.0

Si Si Si Si Si Si O O O O O O O O O O O O
SiO2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two silicon monoxide molecules and one Si2O5 cluster. In the Si2O5 cluster, there are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one O(5) and one O(8) atom. The Si(1)-O(5) bond length is 2.25 Å. The Si(1)-O(8) bond length is 0.81 Å. In the second Si site, Si(3) is bonded in a distorted single-bond geometry to one O(1), one O(10), one O(12), and one O(5) atom. The Si(3)-O(1) bond length is 0.71 Å. The Si(3)-O(10) bond length is 0.90 Å. The Si(3)-O(12) bond length is 1.08 Å. The Si(3)-O(5) bond length is 1.79 Å. In the third Si site, Si(4) is bonded in a single-bond geometry to one O(2) atom. The Si(4)-O(2) bond length is 1.56 Å. In the fourth Si site, Si(5) is bonded in a 3-coordinate geometry to one O(1), one O(12), and one O(3) atom. The Si(5)-O(1) bond length is 1.08 Å. The Si(5)-O(12) bond length is 0.71 Å. The Si(5)-O(3) bond length is 0.90 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Si(3), one Si(5), and one O(10) atom. The O(1)-O(10) bond length is 0.67 Å. In the second O site, O(2) is bonded in a water-like geometry to one Si(4) and one O(10) atom. The O(2)-O(10) bond length is 0.68 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Si(5), one O(11), and one O(12) atom. The O(3)-O(11) bond length is 0.68 Å. The O(3)-O(12) bond length is 0.67 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one O(8) atom. The O(4)-O(8) bond length is 0.43 Å. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Si(1), one Si(3), and one O(9) atom. The O(5)-O(9) bond length is 0.43 Å. In the sixth O site, O(8) is bonded in a distorted single-bond geometry to one Si(1) and one O(4) atom. In the seventh O site, O(9) is bonded in a distorted single-bond geometry to one O(5) atom. In the eighth O site, O(10) is bonded in a 3-coordinate geometry to one Si(3), one O(1), and one O(2) atom. In the ninth O site, O(11) is bonded in a distorted single-bond geometry to one O(3) atom. In the tenth O site, O(12) is bonded in a 3-coordinate geometry to one Si(3), one Si(5), and one O(3) atom.