data_global _chemical_name_mineral 'Uchucchacuaite' loop_ _publ_author_name 'Yang H' 'Downs R T' 'Evans S H' 'Feinglos M N' 'Tait K T' _journal_name_full 'American Mineralogist' _journal_volume 96 _journal_year 2011 _journal_page_first 1186 _journal_page_last 1189 _publ_section_title ; Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213 ; _database_code_amcsd 0018371 _chemical_compound_source 'Uchuc-Chacua, Lima, Peru' _chemical_formula_sum 'Pb3 Mn.901 Ag1.049 Sb5.049 S12' _cell_length_a 19.3645 _cell_length_b 12.7287 _cell_length_c 8.7571 _cell_angle_alpha 90 _cell_angle_beta 90.059 _cell_angle_gamma 90 _cell_volume 2158.492 _exptl_crystal_density_diffrn 5.489 _symmetry_space_group_name_H-M 'P 1 21/n 1' 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' '-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 Pb1 0.25569 0.90189 0.38932 1.00000 0.02333 Pb2 0.24831 0.91430 -0.09676 1.00000 0.02597 Pb3 0.05187 0.90209 0.62985 1.00000 0.02171 MnM2 0.13248 0.14672 0.12630 0.90100 0.02215 AgM2 0.13248 0.14672 0.12630 0.04900 0.02215 SbM2 0.13248 0.14672 0.12630 0.04900 0.02215 Ag1 0.14180 0.17609 0.62300 1.00000 0.04323 Sb1 0.35239 0.12500 0.64424 1.00000 0.01855 Sb2 0.44416 0.86816 0.61507 1.00000 0.01736 Sb3 0.12858 0.64468 0.38406 1.00000 0.01656 Sb4 -0.05365 0.64186 0.63757 1.00000 0.01826 Sb5 0.05504 0.88068 0.14369 1.00000 0.01725 S1 0.39618 0.99378 -0.16787 1.00000 0.01855 S2 -0.00750 0.75035 0.84718 1.00000 0.02154 S3 0.23547 0.04514 -0.35328 1.00000 0.01971 S4 0.33934 0.76560 0.60393 1.00000 0.01936 S5 0.10238 0.98922 0.93968 1.00000 0.01940 S6 0.16465 0.76181 0.59014 1.00000 0.01839 S7 0.40150 0.00041 0.42961 1.00000 0.01823 S8 -0.01717 0.76461 0.42988 1.00000 0.01853 S9 0.25576 0.06069 0.13379 1.00000 0.01861 S10 -0.16685 0.72249 0.65532 1.00000 0.01833 S11 0.09330 0.00701 0.33500 1.00000 0.01970 S12 0.15984 0.76684 0.16766 1.00000 0.01789 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 Pb1 0.02553 0.02243 0.02205 -0.00220 0.00235 -0.00225 Pb2 0.03002 0.02111 0.02677 -0.00179 -0.00287 0.00027 Pb3 0.02333 0.02331 0.01848 0.00071 -0.00042 -0.00062 MnM2 0.02553 0.01820 0.02271 -0.00195 0.00023 0.00100 AgM2 0.02553 0.01820 0.02271 -0.00195 0.00023 0.00100 SbM2 0.02553 0.01820 0.02271 -0.00195 0.00023 0.00100 Ag1 0.04022 0.05037 0.03909 0.02409 -0.00854 -0.00213 Sb1 0.02275 0.01688 0.01602 0.00103 -0.00096 0.00094 Sb2 0.01626 0.01710 0.01872 -0.00008 -0.00132 0.00165 Sb3 0.01846 0.01558 0.01564 -0.00013 0.00014 0.00058 Sb4 0.01878 0.01942 0.01659 -0.00110 -0.00056 -0.00098 Sb5 0.01895 0.01619 0.01661 -0.00224 0.00011 0.00100 S1 0.02497 0.01978 0.01092 0.00521 -0.00037 -0.00052 S2 0.02400 0.02774 0.01287 -0.00777 -0.00253 -0.00139 S3 0.01922 0.02005 0.01984 0.00465 -0.00118 -0.00123 S4 0.01995 0.01958 0.01855 -0.00387 0.00040 0.00119 S5 0.02329 0.02091 0.01402 -0.00606 -0.00117 0.00165 S6 0.01787 0.02207 0.01525 -0.00114 0.00177 -0.00037 S7 0.01898 0.02056 0.01514 -0.00130 0.00070 0.00216 S8 0.01901 0.02455 0.01204 -0.00030 -0.00014 0.00038 S9 0.01729 0.01943 0.01913 -0.00381 -0.00120 0.00155 S10 0.01691 0.02127 0.01679 -0.00115 -0.00068 0.00151 S11 0.02643 0.01805 0.01463 -0.00125 0.00234 -0.00122 S12 0.02021 0.01749 0.01597 0.00078 0.00191 0.00131