data_2100086
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  359
_journal_page_last  359
loop_
_publ_author_name
  'Richard E. Marsh'
_publ_section_title
;
Space group P1: an update
;
_chemical_formula_sum 'not given'
_symmetry_space_group_name_H-M  'C 2'
_space_group_crystal_system  monoclinic
_cell_length_a  21.7350
_cell_length_b  4.9300
_cell_length_c  17.3860
_cell_angle_alpha  90
_cell_angle_beta  123.50
_cell_angle_gamma  90
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  C1 0.29322 -0.50327 0.30305 C
  O1 0.33117 -0.74553 0.32055 O
  C2 0.38565 -0.78555 0.41625 C
  C3 0.25163 -0.43797 0.20015 C
  O2 0.29920 -0.33190 0.17355 O
  C4 0.19575 -0.21245 0.17385 C
  O3 0.14975 -0.19230 0.07530 O
  C5 0.14867 -0.25148 0.21270 C
  O4 0.09775 -0.47270 0.16815 O
  C6 0.20022 -0.30303 0.31610 C
  O5 0.24310 -0.54180 0.33025 O
  C7 0.16205 -0.34650 0.36580 C
  O6 0.21332 -0.34482 0.46385 O
  C8 0.35403 -0.50902 0.18270 C
  C9 0.36485 -0.44680 0.10455 C
  O7 0.29550 -0.47005 0.01735 O
  C10 0.39873 -0.17018 0.11470 C
  O8 0.41600 -0.13990 0.04635 O
  C11 0.46875 -0.14085 0.21150 C
  O9 0.52478 -0.31848 0.22190 O
  C12 0.45195 -0.21020 0.28385 C
  O10 0.42150 -0.48020 0.26870 O
  C13 0.51950 -0.20695 0.38140 C
  O21 0.00000 0.02540 0.00000 O
  O22 0.00000 -0.15900 0.00000 O