data_global _chemical_name_mineral 'Proudite' loop_ _publ_author_name 'Mumme W G' _journal_name_full 'American Mineralogist' _journal_volume 61 _journal_year 1976 _journal_page_first 839 _journal_page_last 852 _publ_section_title ; Proudite from Tennant Creek, Northern Territory, Australia: Its crystal structure and relationship with weibullite and wittite ; _database_code_amcsd 0000526 _chemical_formula_sum 'Pb14.5 Bi18.8 Cu1.5 S30 Se14' _cell_length_a 31.960 _cell_length_b 4.120 _cell_length_c 36.690 _cell_angle_alpha 90 _cell_angle_beta 109.52 _cell_angle_gamma 90 _cell_volume 4553.491 _exptl_crystal_density_diffrn 6.634 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Pb1 0.00000 0.00000 0.00000 0.50000 0.01646 Bi1 0.06900 0.50000 0.10170 1.00000 0.00051 Pb2 0.13240 0.00000 0.19950 1.00000 0.00215 Bi2 0.00500 0.50000 0.18940 1.00000 0.00570 Pb3 0.07010 0.00000 0.29300 1.00000 0.00532 Pb4 0.13030 0.50000 0.39200 1.00000 0.00570 Bi3 0.19790 0.50000 0.30730 1.00000 0.01267 Bi4 0.25370 0.00000 0.40430 1.00000 0.01292 Bi5 0.18740 0.00000 0.49360 1.00000 0.02280 Pb5 0.23510 0.00000 0.13980 1.00000 0.01494 Bi6 0.44560 0.50000 0.09140 1.00000 0.01191 Pb6 0.12890 0.50000 0.01530 1.00000 0.01925 Pb7 0.00380 0.00000 0.41340 1.00000 0.04306 Bi7 0.27790 0.00000 0.05510 1.00000 0.00760 Bi8 0.37870 0.00000 0.37310 1.00000 0.00925 Pb8 0.35500 0.50000 0.18060 1.00000 0.02533 Bi9 0.43010 0.50000 0.29560 1.00000 0.03597 Bi10 0.29560 0.00000 0.25550 0.40000 0.06079 Cu 0.12000 0.50000 0.46500 0.75000 0.05953 S1 0.05710 0.50000 0.49860 0.50000 0.01634 S2 0.35940 0.50000 0.04700 1.00000 0.01051 S3 0.31730 0.00000 0.12740 1.00000 0.00811 S4 0.09150 0.00000 0.06220 1.00000 0.01013 S5 0.03810 0.00000 0.14740 1.00000 0.00203 S6 0.15320 0.50000 0.15010 1.00000 0.00532 S7 0.10070 0.50000 0.25610 1.00000 0.01279 Se8 0.04170 0.50000 0.34060 1.00000 0.00735 Se9 0.16830 0.00000 0.35280 1.00000 0.00709 S10 0.10830 0.00000 0.43230 1.00000 0.00304 S11 0.22520 0.50000 0.46560 1.00000 0.02736 Se12 0.33720 0.00000 0.46550 1.00000 0.01646 Se13 0.27660 0.50000 0.36230 1.00000 0.01191 Se14 0.21840 0.00000 0.26530 1.00000 0.00418 S15 0.46830 0.00000 0.05540 1.00000 0.02318 Se16 0.47280 0.50000 0.22120 1.00000 0.00760 S17 0.21750 0.50000 0.06750 1.00000 0.03040 Se18 0.42700 0.00000 0.13490 1.00000 0.01545 S19 0.41850 0.50000 0.46680 0.50000 0.00355 S20 0.45790 0.00000 0.35770 1.00000 0.01127 S21 0.25490 0.50000 0.21710 1.00000 0.03103 S22 0.39430 0.00000 0.25000 1.00000 0.01862 S23 0.35400 0.50000 0.31940 1.00000 0.02001