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 0000275 _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 9.10 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _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 0.20320 0.00000 0.50000 0.50000 0.01393 Cu1A 0.79860 0.00000 0.50000 0.50000 0.01646 Cu2 0.35950 0.01490 0.25000 0.50000 0.02026 Cu2A 0.35910 0.34150 0.25000 0.50000 0.01013 Cu3 0.33490 0.16780 0.75000 0.50000 0.01520 Cu4 0.50120 0.00000 0.50000 0.50000 0.01520 Cu5 0.00000 0.00000 0.00000 0.04800 0.01596 S 0.66670 0.33330 0.25000 0.13300 0.02533 Cl1 0.27670 0.14180 0.25000 0.50000 0.01140 Cl2 0.56200 0.45100 0.75000 0.16700 0.02280 N 0.66670 0.33330 0.25000 0.03400 0.02533 O-H1 0.45100 0.07700 0.09200 1.00000 0.00633 O-H1A 0.45000 0.36600 0.08800 1.00000 0.00253 O-H3 0.32400 0.06700 0.61500 1.00000 ? O-H3A 0.32900 0.25400 0.59900 1.00000 0.01140 O-H5 0.15200 0.08000 0.59400 1.00000 0.02280 O-H7 0.56200 0.45100 0.75000 0.33300 0.02280 O8 0.63600 0.26800 0.11840 0.26700 0.03166 O9 0.62200 0.39600 0.25000 0.13300 0.03166 O10 0.77500 0.39600 0.25000 0.13300 0.03166 O11 0.62200 0.24400 0.25000 0.10000 0.03166 O-H12 0.51200 0.25800 0.69500 0.50000 0.07092