data_global
_amcsd_formula_title 'SO3'
loop_
_publ_author_name
'Pascard R'
'Pascard-Billy C'
_journal_name_full 'Acta Crystallographica'
_journal_volume 18 
_journal_year 1965
_journal_page_first 830
_journal_page_last 834
_publ_section_title
;
 Structure precise de l'anhydride sulfurique
;
_database_code_amcsd 0009294
_chemical_formula_sum 'S O3'
_cell_length_a 5.13
_cell_length_b 10.82
_cell_length_c 12.40
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 688.282
_exptl_crystal_density_diffrn      2.318
_symmetry_space_group_name_H-M 'P 21 n b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2+x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1   0.20600   0.13150   0.08210   0.02799
S2   0.04500   0.30410  -0.07420   0.02444
S3   0.00000   0.35980   0.14900   0.02698
O1   0.12000   0.01160   0.10410   0.04116
O2   0.45160   0.17060   0.08380   0.04116
O3   0.06100   0.16460  -0.03090   0.02698
O4  -0.12390   0.29450  -0.15480   0.04876
O5   0.27740   0.36090  -0.08290   0.04243
O6  -0.11260   0.35790   0.02750   0.02748
O7   0.23120   0.41440   0.15000   0.03800
O8  -0.21540   0.38740   0.21370   0.03040
O9   0.03800   0.20840   0.15960   0.02875