data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.52
_cell_length_c   6.23
_cell_angle_alpha   89.3
_cell_angle_beta   89.84
_cell_angle_gamma   89.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si4 O8'
_cell_volume   173.32
_cell_formula_units_Z   4
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  0.6  0.47  0.73  1.0
  Si  Si1  1  0.03  0.19  0.72  1.0
  Si  Si2  1  0.8  0.86  0.14  1.0
  Si  Si3  1  0.32  0.84  0.29  1.0
  O  O4  1  0.18  0.61  0.17  1.0
  O  O5  1  0.02  0.33  0.15  1.0
  O  O6  1  0.44  0.14  0.14  1.0
  O  O7  1  0.27  0.85  0.19  1.0
  O  O8  1  0.73  0.6  0.36  1.0
  O  O9  1  0.94  0.06  0.35  1.0
  O  O10  1  0.32  0.09  0.28  1.0
  O  O11  1  0.6  0.36  0.2  1.0

data_SiO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.52
_cell_length_c   6.23
_cell_angle_alpha   89.3
_cell_angle_beta   89.84
_cell_angle_gamma   89.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si4 O8'
_cell_volume   173.32
_cell_formula_units_Z   4
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  0.03  0.19  0.72  1.0
  Si  Si1  1  0.32  0.84  0.29  1.0
  Si  Si2  1  0.6  0.47  0.73  1.0
  Si  Si3  1  0.8  0.86  0.14  1.0
  O  O4  1  0.02  0.33  0.15  1.0
  O  O5  1  0.18  0.61  0.17  1.0
  O  O6  1  0.27  0.85  0.19  1.0
  O  O7  1  0.32  0.09  0.28  1.0
  O  O8  1  0.44  0.14  0.14  1.0
  O  O9  1  0.6  0.36  0.2  1.0
  O  O10  1  0.73  0.6  0.36  1.0
  O  O11  1  0.94  0.06  0.35  1.0

Si Si Si Si O O O O O O O O
Si Si Si Si O O O O O O O O 0 11 o o + 0 1 + o o 0 8 o o o 1 9 - o o 1 5 o o + 1 10 o o o 2 8 o o o 2 9 o + o 3 7 o o o 3 4 o o o 3 9 - + o 4 5 o o o 4 7 o o o 5 9 - o o 5 11 - o o 5 10 o o o 6 10 o o o 6 11 o o o 7 9 - + o 8 11 o o o 9 10 + o o 