data_[O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0975]
_cell_length_b [4.4296]
_cell_length_c [4.6868]
_cell_angle_alpha [66.2460]
_cell_angle_beta [87.8572]
_cell_angle_gamma [75.7279]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [O2]
_chemical_formula_sum '[O4]'
_cell_volume [56.9019]
_cell_formula_units_Z [2]
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
[
  O  O0  2  0.2182  0.5623  0.6753  1.0
  O  O1  2  0.3187  0.2781  0.6698  1.0
]