data_[H8C12O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [6.3233]
_cell_length_b [6.3233]
_cell_length_c [11.2637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [H2C3O4]
_chemical_formula_sum '[H8 C12 O16]'
_cell_volume [450.3704]
_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
[
  H  H0  8  0.0919  0.7374  0.7039  1
  C  C1  8  0.0804  0.8201  0.1965  1
  C  C2  4  0.1104  0.8896  0.7500  1
  O  O3  8  0.0586  0.0893  0.3356  1
  O  O4  8  0.1370  0.6668  0.1377  1
]