data_global
_chemical_name_mineral 'Connellite'
loop_
_publ_author_name
'McLean W J'
'Anthony J W'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 426
_journal_page_last 438
_publ_section_title
;
 The disordered, "zeolite-like" structure of connellite
;
_database_code_amcsd 275
_chemical_formula_sum 'Cu9.048 S.133 Cl2.001 N.034 O36.699 H33.999'
_cell_length_a 15.78
_cell_length_b 15.78
_cell_length_c 9.1
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 1962.393
_exptl_crystal_density_diffrn  2.153
_symmetry_space_group_name_H-M 'P -6 2 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  '-x+y,-x,1/2-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,x-y,1/2-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu1   0.2032  0.0  0.5  0.5  0.01393
Cu1A   0.7986  0.0  0.5  0.5  0.01646
Cu2   0.3595  0.0149  0.25  0.5  0.02026
Cu2A   0.3591  0.3415  0.25  0.5  0.01013
Cu3   0.3349  0.1678  0.75  0.5  0.0152
Cu4   0.5012  0.0  0.5  0.5  0.0152
Cu5   0.0  0.0  0.0  0.048  0.01596
S   0.666667  0.333333  0.25  0.133  0.02533
Cl1   0.2767  0.1418  0.25  0.5  0.0114
Cl2   0.562  0.451  0.75  0.167  0.0228
N   0.666667  0.333333  0.25  0.034  0.02533
O-H1   0.451  0.077  0.092  1.0  0.00633
O-H1A   0.45  0.366  0.088  1.0  0.00253
O-H3   0.324  0.067  0.615  1.0  2.0
O-H3A   0.329  0.254  0.599  1.0  0.0114
O-H5   0.152  0.08  0.594  1.0  0.0228
O-H7   0.562  0.451  0.75  0.333  0.0228
O8   0.636  0.268  0.1184  0.267  0.03166
O9   0.622  0.396  0.25  0.133  0.03166
O10   0.775  0.396  0.25  0.133  0.03166
O11   0.622  0.244  0.25  0.1  0.03166
O-H12   0.512  0.258  0.695  0.5  0.07092