data_[Si112O224]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [14.0652]
_cell_length_b [22.7020]
_cell_length_c [20.9724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [SiO2]
_chemical_formula_sum '[Si112 O224]'
_cell_volume [6696.6501]
_cell_formula_units_Z [112]
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  16  0.1898  0.1258  0.9343  1
  Si  Si1  16  0.1907  0.1249  0.6883  1
  Si  Si2  16  0.2113  0.0674  0.1883  1
  Si  Si3  16  0.2121  0.4317  0.4311  1
  Si  Si4  8  0.0000  0.0297  0.1879  1
  Si  Si5  8  0.0000  0.0380  0.4351  1
  Si  Si6  8  0.0000  0.0465  0.9419  1
  Si  Si7  8  0.0000  0.0488  0.6852  1
  Si  Si8  8  0.1133  0.2500  0.8824  1
  Si  Si9  8  0.1138  0.2500  0.7286  1
  O  O10  16  0.0930  0.0891  0.6792  1
  O  O11  16  0.0938  0.0877  0.9455  1
  O  O12  16  0.0953  0.0703  0.1908  1
  O  O13  16  0.0969  0.4237  0.4334  1
  O  O14  16  0.1623  0.1925  0.9140  1
  O  O15  16  0.1650  0.1939  0.6957  1
  O  O16  16  0.2461  0.0965  0.1218  1
  O  O17  16  0.2464  0.1128  0.3752  1
  O  O18  16  0.2476  0.1043  0.7516  1
  O  O19  8  0.0000  0.0019  0.6281  1
  O  O20  8  0.0000  0.0096  0.8761  1
  O  O21  8  0.0000  0.0160  0.7531  1
  O  O22  8  0.1302  0.2500  0.8055  1
  O  O23  8  0.2500  0.0000  0.1927  1
  O  O24  8  0.2500  0.0000  0.4182  1
  O  O25  8  0.2500  0.0909  0.5000  1
  O  O26  8  0.2500  0.1264  0.0000  1
  O  O27  4  0.0000  0.0000  0.0000  1
  O  O28  4  0.0000  0.0000  0.5000  1
  O  O29  4  0.0000  0.2500  0.7138  1
  O  O30  4  0.0000  0.2500  0.8978  1
]