data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si4 O8'
_cell_volume   153.66
_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  Si8  1  0.87  0.87  0.0  1.0
  Si  Si9  1  0.3  0.56  0.63  1.0
  Si  Si10  1  0.98  0.98  0.26  1.0
  Si  Si11  1  0.56  0.3  0.9  1.0
  O  O0  1  0.15  0.12  0.32  1.0
  O  O1  1  0.73  0.31  0.31  1.0
  O  O2  1  0.54  0.13  0.95  1.0
  O  O3  1  0.73  0.7  0.94  1.0
  O  O4  1  0.7  0.73  0.58  1.0
  O  O5  1  0.13  0.54  0.58  1.0
  O  O6  1  0.31  0.73  0.22  1.0
  O  O7  1  0.12  0.15  0.21  1.0

data_SiO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si4 O8'
_cell_volume   153.66
_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  0.3  0.56  0.63  1.0
  Si  Si1  1  0.56  0.3  0.9  1.0
  Si  Si2  1  0.87  0.87  0.0  1.0
  Si  Si3  1  0.98  0.98  0.26  1.0
  O  O4  1  0.12  0.15  0.21  1.0
  O  O5  1  0.13  0.54  0.58  1.0
  O  O6  1  0.15  0.12  0.32  1.0
  O  O7  1  0.31  0.73  0.22  1.0
  O  O8  1  0.54  0.13  0.95  1.0
  O  O9  1  0.7  0.73  0.58  1.0
  O  O10  1  0.73  0.31  0.31  1.0
  O  O11  1  0.73  0.7  0.94  1.0

Si Si Si Si O O O O O O O O