data_global
_amcsd_formula_title 'Cl Cu H4 N2 S2'
loop_
_publ_author_name
'Mosset A'
'Abboudi M'
'Galy J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 164 
_journal_year 1983
_journal_page_first 181
_journal_page_last 188
_publ_section_title
;
 Etude structurale, par diffraction des rayons X, du rubeanate de
 cuivre(I): Cu Cl (C2 N2 S2 H4)
 _cod_database_code 1008177
;
_database_code_amcsd 0016114
_chemical_formula_sum 'Cu Cl S2 N2 C2 H4'
_cell_length_a 15.576
_cell_length_b 6.923
_cell_length_c 11.416
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1231.017
_exptl_crystal_density_diffrn      2.365
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.16820   0.11700   0.24380
Cl1   0.16130   0.08600   0.04200
S1   0.29270   0.25200   0.30100
S2   0.54250   0.16500   0.16500
N1   0.35600   0.07900   0.11500
N2   0.47000   0.16300   0.37300
C1   0.37200   0.15700   0.22000
C2   0.45900   0.15900   0.25800
H1   0.40500   0.02300   0.06700
H2   0.29600   0.07300   0.08200
H3   0.42000   0.16300   0.42800
H4   0.53000   0.16000   0.40700