data_global _chemical_name_mineral 'Kobellite' loop_ _publ_author_name 'Miehe G' _journal_name_full 'Nature Physical Science' _journal_volume 231 _journal_year 1971 _journal_page_first 133 _journal_page_last 134 _publ_section_title ; Crystal structure of kobellite ; _database_code_amcsd 0014683 _chemical_compound_source 'Korunka mine, Spissko-Gemerske Rudohorie Mountains, Czechoslovakia' _chemical_formula_sum '(Cu.888 Fe1.112) Pb12 (Bi7.89 Sb6.11) S35' _cell_length_a 22.575 _cell_length_b 34.104 _cell_length_c 4.038 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3108.847 _exptl_crystal_density_diffrn 6.538 _symmetry_space_group_name_H-M 'P n n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-x,-y,z' '-x,-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 Cu 0.13070 0.33540 0.50000 0.44400 0.04433 Fe 0.13070 0.33540 0.50000 0.55600 0.04433 Pb1 0.27360 0.03520 0.50000 1.00000 0.03420 Pb2 0.15560 0.13220 0.50000 1.00000 0.03926 Pb3 0.06390 0.24660 0.50000 1.00000 0.03546 Pb4 0.26750 0.37200 0.00000 1.00000 0.04813 Pb5 0.45820 0.36210 0.00000 1.00000 0.03546 Pb6 0.11390 0.43820 0.00000 1.00000 0.04433 Bi1 0.05270 0.04510 0.00000 0.33300 0.03040 Sb1 0.05270 0.04510 0.00000 0.66700 0.03040 Bi2 0.43810 0.04400 0.00000 0.83300 0.03040 Sb2 0.43810 0.04400 0.00000 0.16700 0.03040 Bi3 0.32680 0.14040 0.00000 0.55600 0.02533 Sb3 0.32680 0.14040 0.00000 0.44400 0.02533 Bi4 0.48730 0.15020 0.50000 0.66700 0.03166 Sb4 0.48730 0.15020 0.50000 0.33300 0.03166 Bi5 0.23390 0.24120 0.00000 0.55600 0.02406 Sb5 0.23390 0.24120 0.00000 0.44400 0.02406 Bi6 0.39500 0.25510 0.50000 0.50000 0.02533 Sb6 0.39500 0.25510 0.50000 0.50000 0.02533 Bi7 0.36690 0.45470 0.50000 0.50000 0.03293 Sb7 0.36690 0.45470 0.50000 0.50000 0.03293 S1 0.50000 0.00000 0.50000 1.00000 0.02280 S2 0.13280 0.04590 0.50000 1.00000 0.02660 S3 0.37810 0.08540 0.50000 1.00000 0.01393 S4 0.23700 0.09530 0.00000 1.00000 0.01520 S5 0.05400 0.11800 0.00000 1.00000 0.01520 S6 0.13890 0.20240 0.00000 1.00000 0.01267 S7 0.28380 0.18220 0.50000 1.00000 0.01900 S8 0.44930 0.19970 0.00000 1.00000 0.01900 S9 0.48900 0.29410 0.50000 1.00000 0.01393 S10 0.35380 0.29650 0.00000 1.00000 0.01773 S11 0.20770 0.28730 0.50000 1.00000 0.02153 S12 0.08740 0.31580 0.00000 1.00000 0.01646 S13 0.03330 0.40090 0.50000 1.00000 0.02913 S14 0.18710 0.39140 0.50000 1.00000 0.01393 S15 0.36690 0.38140 0.50000 1.00000 0.02153 S16 0.28460 0.44990 0.00000 1.00000 0.01646 S17 0.45750 0.44820 0.00000 1.00000 0.01267 S18 0.15320 0.49540 0.50000 1.00000 0.02660