data_global _chemical_name_mineral 'Levyclaudite-(Sb)' loop_ _publ_author_name 'Evain M' 'Petricek V' 'Moelo Y' 'Maurel C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 62 _journal_year 2006 _journal_page_first 775 _journal_page_last 789 _publ_section_title ; First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals ; _database_code_amcsd 0009944 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb.95 Sb.408 Sn.851 Cu.298 S3.36' _cell_length_a 3.6661 _cell_length_b 6.3138 _cell_length_c 11.9028 _cell_angle_alpha 92.490 _cell_angle_beta 90.590 _cell_angle_gamma 89.986 _cell_volume 275.240 _exptl_crystal_density_diffrn 5.722 _symmetry_space_group_name_H-M 'C -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' 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 Pb 0.05541 0.24113 0.36783 0.47500 0.03573 Sb 0.05541 0.24110 0.36780 0.20400 0.03573 Sn 0.00000 0.00000 0.00000 0.85100 0.01480 Cu 0.00290 0.00570 0.11470 0.14900 0.02290 S1 0.50330 0.84278 0.12342 0.68000 0.01770 S2 0.04020 0.25830 0.59639 1.00000 0.03100 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 Pb 0.03820 0.03020 0.03900 0.00096 0.00807 0.00192 Sb 0.03820 0.03020 0.03900 0.00096 0.00807 0.00192 Sn 0.01370 0.00983 0.02080 0.00043 0.00029 0.00055 Cu 0.01800 0.01380 0.03700 0.00090 0.00040 0.00210 S1 0.01930 0.01330 0.02050 -0.00050 -0.00050 0.00080 S2 0.03950 0.02950 0.02370 0.00020 0.00520 0.00190