data_global _chemical_name_mineral 'Catamarcaite' loop_ _publ_author_name 'Putz H' 'Paar W H' 'Topa D' 'Makovicky E' 'Roberts A C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 44 _journal_year 2006 _journal_page_first 1481 _journal_page_last 1497 _publ_section_title ; Catamarcaite, Cu6GeWS8, a new germanium sulfide mineral species from Capillitas, Catamarca, Argentina: Description, paragenesis and crystal structure ; _database_code_amcsd 0006132 _chemical_compound_source 'Capillitas, Catamarca, Argentina' _chemical_formula_sum 'Cu6 Ge W S8' _cell_length_a 7.5238 _cell_length_b 7.5238 _cell_length_c 12.390 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 607.402 _exptl_crystal_density_diffrn 4.890 _symmetry_space_group_name_H-M 'P 63 m 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_U_iso_or_equiv Cu1 0.84020 0.15980 0.10490 0.01770 Cu2 0.50440 0.49560 0.35360 0.01890 Ge 0.00000 0.00000 0.35130 0.00850 W 0.33333 0.66667 0.48100 0.00850 S1 0.33333 0.66667 0.30020 0.01600 S2 0.50320 0.49690 0.04190 0.01420 S3 0.83810 0.67630 0.29044 0.01100 S4 0.00000 0.00000 0.53110 0.01100 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cu1 0.02200 0.02200 0.01300 0.01370 -0.00160 0.00160 Cu2 0.01970 0.01970 0.01660 0.00940 0.00150 -0.00150 Ge 0.01000 0.01000 0.00600 0.00500 0.00000 0.00000 W 0.01030 0.01030 0.00510 0.00510 0.00000 0.00000 S1 0.02000 0.02000 0.00900 0.01000 0.00000 0.00000 S2 0.01600 0.01600 0.00900 0.00600 -0.00160 0.00160 S3 0.01200 0.01000 0.01000 0.00500 -0.00020 -0.00100 S4 0.01500 0.01500 0.00400 0.00700 0.00000 0.00000