data_2100021
_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  23.2475
_cell_length_b  7.9835
_cell_length_c  23.0970
_cell_angle_alpha  90
_cell_angle_beta  132.93
_cell_angle_gamma  90
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  Ti1 0.02277 0.48917 -0.11670 Ti
  O1 0.00543 0.58732 -0.05770 O
  O2 -0.15165 0.63050 -0.15035 O
  O3 -0.13250 0.86270 -0.08650 O
  C1 0.04110 0.57120 -0.20275 C
  C2 0.10005 0.64920 -0.13105 C
  C3 0.06517 0.76318 -0.11725 C
  C4 -0.01495 0.75640 -0.18070 C
  C5 -0.03112 0.63877 -0.23435 C
  C6 0.01318 0.19637 -0.15040 C
  C7 -0.04888 0.27577 -0.21690 C
  C8 -0.09588 0.33753 -0.20390 C
  C9 -0.06180 0.28795 -0.12955 C
  C10 0.00545 0.20495 -0.09460 C
  C11 0.14485 0.41925 -0.01490 C
  C12 -0.01870 0.72520 -0.04310 C
  C13 -0.10780 0.72825 -0.09885 C
  C14 -0.21692 0.89283 -0.14145 C
  C15 -0.24467 0.85543 -0.10250 C
  C16 -0.23000 1.07130 -0.16550 C
  Ti2 -0.33907 1.94907 -0.45130 Ti
  O4 -0.42340 1.85035 -0.47320 O
  O5 -0.39652 1.83082 -0.33970 O
  O6 -0.45570 1.58155 -0.37610 O
  C17 -0.29858 2.19557 -0.37140 C
  C18 -0.37852 2.18117 -0.41870 C
  C19 -0.41442 2.20222 -0.49550 C
  C20 -0.35517 2.23233 -0.49685 C
  C21 -0.28485 2.22940 -0.42035 C
  C22 -0.27985 1.67910 -0.40500 C
  C23 -0.25125 1.76525 -0.34400 C
  C24 -0.20725 1.89505 -0.33700 C
  C25 -0.21200 1.87415 -0.39675 C
  C26 -0.25550 1.74305 -0.43800 C
  C27 -0.38943 1.92348 -0.57235 C
  C28 -0.45510 1.71410 -0.46630 C
  C29 -0.43222 1.72073 -0.38660 C
  C30 -0.43183 1.55807 -0.29970 C
  C31 -0.35693 1.46382 -0.24785 C
  C32 -0.49865 1.47205 -0.31560 C
  H1 0.04875 0.49425 -0.22450 H
  H2 0.15125 0.62025 -0.09650 H
  H3 0.09250 0.81800 -0.07000 H
  H4 -0.05375 0.81025 -0.18850 H
  H5 -0.07725 0.61525 -0.28300 H
  H6 0.06725 0.18125 -0.12350 H
  H7 -0.05725 0.29225 -0.25850 H
  H8 -0.13900 0.39700 -0.23600 H
  H9 -0.07925 0.30825 -0.10850 H
  H10 0.04325 0.18675 -0.04850 H
  H11 0.18125 0.54675 0.01500 H
  H12 0.15950 0.33900 -0.03500 H
  H13 0.13700 0.37100 0.00900 H
  H14 -0.00575 0.82575 -0.05050 H
  H15 -0.23700 0.81950 -0.18450 H
  H16 -0.22500 0.78500 -0.08500 H
  H17 -0.29000 0.86000 -0.14000 H
  H18 -0.22750 0.96750 -0.06000 H
  H19 -0.19500 1.06000 -0.18000 H
  H20 -0.21750 1.13250 -0.13000 H
  H21 -0.28500 1.10000 -0.21500 H
  H22 -0.26550 2.16350 -0.31850 H
  H23 -0.40050 2.15600 -0.39600 H
  H24 -0.45975 2.20225 -0.53750 H
  H25 -0.36425 2.24375 -0.55050 H
  H26 -0.23075 2.25475 -0.40200 H
  H27 -0.31425 1.58145 -0.42430 H
  H28 -0.26750 1.72250 -0.32000 H
  H29 -0.18025 1.97525 -0.29550 H
  H30 -0.19300 1.91900 -0.41100 H
  H31 -0.27875 1.74475 -0.49250 H
  H32 -0.35325 1.95325 -0.57650 H
  H33 -0.45125 1.99525 -0.61250 H
  H34 -0.40175 1.77775 -0.58350 H
  H35 -0.43650 1.62100 -0.46600 H
  H36 -0.42900 1.66550 -0.28100 H
  H37 -0.31650 1.52845 -0.24048 H
  H38 -0.34040 1.44479 -0.19642 H
  H39 -0.36429 1.35584 -0.27233 H
  H40 -0.54573 1.54239 -0.35017 H
  H41 -0.50892 1.36426 -0.34148 H
  H42 -0.48503 1.45321 -0.26556 H