data_global
_amcsd_formula_title 'C7S2H10'
loop_
_publ_author_name
'Marsh R E'
'Herbstein F H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 44 
_journal_year 1988
_journal_page_first 77
_journal_page_last 88
_publ_section_title
;
 More space group changes
;
_database_code_amcsd 0009813
_chemical_formula_sum 'C7 S2 H10'
_cell_length_a 11.419
_cell_length_b 41.077
_cell_length_c 6.626
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3107.980
_exptl_crystal_density_diffrn      1.353
_symmetry_space_group_name_H-M 'F d d 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1   0.17380   0.43480   0.38060   0.05550
C2   0.18570   0.42520   0.59960   0.07420
C3   0.38860   0.42490   0.40260   0.07420
C4   0.28770   0.43460   0.27110   0.05270
C5   0.30090   0.46370   0.13520   0.07260
C6   0.09720   0.46310   0.32540   0.06730
C7   0.19690   0.40970   0.22200   0.06760
S1   0.32806   0.40587   0.62715   0.08280
S2   0.15645   0.48118   0.09977   0.08490
H21   0.18300   0.44500   0.68600   0.00090
H22   0.12200   0.40700   0.66700   0.00180
H31   0.44800   0.40800   0.34800   0.00110
H32   0.42500   0.44300   0.43800   0.00060
H51   0.35800   0.48000   0.20400   0.00080
H52   0.32600   0.45800   0.02500   0.00090
H61   0.01700   0.45700   0.29000   0.00050
H62   0.09900   0.48000   0.46200   0.00090
H71   0.21600   0.38700   0.26600   0.00060
H72   0.15000   0.41400   0.10400   0.00080