data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si3 O6'
_cell_volume   126.23
_cell_formula_units_Z   3
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  0.28  0.21  0.86  1.0
  Si  Si1  1  0.55  0.0  0.0  1.0
  Si  Si2  1  0.72  0.21  0.73  1.0
  O  O3  1  0.96  0.5  0.93  1.0
  O  O4  1  0.55  0.58  0.8  1.0
  O  O5  1  0.51  0.92  0.66  1.0
  O  O6  1  0.6  0.92  0.93  1.0
  O  O7  1  0.0  0.84  0.8  1.0
  O  O8  1  0.04  0.5  0.66  1.0

data_SiO2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si3 O6'
_cell_volume   126.23
_cell_formula_units_Z   3
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  0.28  0.21  0.86  1.0
  Si  Si1  1  0.55  0.0  -0.0  1.0
  Si  Si2  1  0.72  0.21  0.73  1.0
  O  O3  1  0.0  0.84  0.8  1.0
  O  O4  1  0.04  0.5  0.66  1.0
  O  O5  1  0.51  0.92  0.66  1.0
  O  O6  1  0.55  0.58  0.8  1.0
  O  O7  1  0.6  0.92  0.93  1.0
  O  O8  1  0.96  0.5  0.93  1.0

Si Si Si O O O O O O