# generated using pymatgen data_Mn7(PbO5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27988790 _cell_length_b 13.93533711 _cell_length_c 17.76479565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7(PbO5)3 _chemical_formula_sum 'Mn56 Pb24 O120' _cell_volume 2544.87276593 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.24400840 0.49666217 0.08304658 1.0 Mn Mn1 1 0.25599160 0.99666217 0.41695342 1.0 Mn Mn2 1 0.75599160 0.50333783 0.58304658 1.0 Mn Mn3 1 0.74400840 0.00333783 0.91695342 1.0 Mn Mn4 1 0.75599160 0.50333783 0.91695342 1.0 Mn Mn5 1 0.74400840 0.00333783 0.58304658 1.0 Mn Mn6 1 0.24400840 0.49666217 0.41695342 1.0 Mn Mn7 1 0.25599160 0.99666217 0.08304658 1.0 Mn Mn8 1 0.50809556 0.99141685 0.33377761 1.0 Mn Mn9 1 0.99190444 0.49141685 0.16622239 1.0 Mn Mn10 1 0.49190444 0.00858315 0.83377761 1.0 Mn Mn11 1 0.00809556 0.50858315 0.66622239 1.0 Mn Mn12 1 0.49190444 0.00858315 0.66622239 1.0 Mn Mn13 1 0.00809556 0.50858315 0.83377761 1.0 Mn Mn14 1 0.50809556 0.99141685 0.16622239 1.0 Mn Mn15 1 0.99190444 0.49141685 0.33377761 1.0 Mn Mn16 1 0.49382426 0.49319777 0.16719809 1.0 Mn Mn17 1 0.00617574 0.99319777 0.33280191 1.0 Mn Mn18 1 0.50617574 0.50680223 0.66719809 1.0 Mn Mn19 1 0.99382426 0.00680223 0.83280191 1.0 Mn Mn20 1 0.50617574 0.50680223 0.83280191 1.0 Mn Mn21 1 0.99382426 0.00680223 0.66719809 1.0 Mn Mn22 1 0.49382426 0.49319777 0.33280191 1.0 Mn Mn23 1 0.00617574 0.99319777 0.16719809 1.0 Mn Mn24 1 0.74761082 0.14306319 0.41719434 1.0 Mn Mn25 1 0.75238918 0.64306319 0.08280566 1.0 Mn Mn26 1 0.25238918 0.85693681 0.91719434 1.0 Mn Mn27 1 0.24761082 0.35693681 0.58280566 1.0 Mn Mn28 1 0.25238918 0.85693681 0.58280566 1.0 Mn Mn29 1 0.24761082 0.35693681 0.91719434 1.0 Mn Mn30 1 0.74761082 0.14306319 0.08280566 1.0 Mn Mn31 1 0.75238918 0.64306319 0.41719434 1.0 Mn Mn32 1 0.74426299 0.35048584 0.08236870 1.0 Mn Mn33 1 0.75573701 0.85048584 0.41763130 1.0 Mn Mn34 1 0.25573701 0.64951416 0.58236870 1.0 Mn Mn35 1 0.24426299 0.14951416 0.91763130 1.0 Mn Mn36 1 0.25573701 0.64951416 0.91763130 1.0 Mn Mn37 1 0.24426299 0.14951416 0.58236870 1.0 Mn Mn38 1 0.74426299 0.35048584 0.41763130 1.0 Mn Mn39 1 0.75573701 0.85048584 0.08236870 1.0 Mn Mn40 1 0.74026459 0.49057091 0.25000000 1.0 Mn Mn41 1 0.75973541 0.99057091 0.25000000 1.0 Mn Mn42 1 0.25973541 0.50942909 0.75000000 1.0 Mn Mn43 1 0.24026459 0.00942909 0.75000000 1.0 Mn Mn44 1 0.50000000 0.50000000 -0.00000000 1.0 Mn Mn45 1 -0.00000000 -0.00000000 0.50000000 1.0 Mn Mn46 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn47 1 -0.00000000 -0.00000000 -0.00000000 1.0 Mn Mn48 1 -0.00000000 0.50000000 -0.00000000 1.0 Mn Mn49 1 0.50000000 -0.00000000 0.50000000 1.0 Mn Mn50 1 -0.00000000 0.50000000 0.50000000 1.0 Mn Mn51 1 0.50000000 -0.00000000 -0.00000000 1.0 Mn Mn52 1 0.24369563 0.49178244 0.25000000 1.0 Mn Mn53 1 0.25630437 0.99178244 0.25000000 1.0 Mn Mn54 1 0.75630437 0.50821756 0.75000000 1.0 Mn Mn55 1 0.74369563 0.00821756 0.75000000 1.0 Pb Pb56 1 0.64434403 0.73951725 0.25000000 1.0 Pb Pb57 1 0.85565597 0.23951725 0.25000000 1.0 Pb Pb58 1 0.35565597 0.26048275 0.75000000 1.0 Pb Pb59 1 0.14434403 0.76048275 0.75000000 1.0 Pb Pb60 1 0.05927648 0.75212564 0.05538388 1.0 Pb Pb61 1 0.44072352 0.25212564 0.44461612 1.0 Pb Pb62 1 0.94072352 0.24787436 0.55538388 1.0 Pb Pb63 1 0.55927648 0.74787436 0.94461612 1.0 Pb Pb64 1 0.94072352 0.24787436 0.94461612 1.0 Pb Pb65 1 0.55927648 0.74787436 0.55538388 1.0 Pb Pb66 1 0.05927648 0.75212564 0.44461612 1.0 Pb Pb67 1 0.44072352 0.25212564 0.05538388 1.0 Pb Pb68 1 0.98475444 0.73257812 0.25000000 1.0 Pb Pb69 1 0.51524556 0.23257812 0.25000000 1.0 Pb Pb70 1 0.01524556 0.26742188 0.75000000 1.0 Pb Pb71 1 0.48475444 0.76742188 0.75000000 1.0 Pb Pb72 1 0.39105834 0.74260603 0.11574119 1.0 Pb Pb73 1 0.10894166 0.24260603 0.38425881 1.0 Pb Pb74 1 0.60894166 0.25739397 0.61574119 1.0 Pb Pb75 1 0.89105834 0.75739397 0.88425881 1.0 Pb Pb76 1 0.60894166 0.25739397 0.88425881 1.0 Pb Pb77 1 0.89105834 0.75739397 0.61574119 1.0 Pb Pb78 1 0.39105834 0.74260603 0.38425881 1.0 Pb Pb79 1 0.10894166 0.24260603 0.11574119 1.0 O O80 1 0.82743110 0.07988210 0.50613885 1.0 O O81 1 0.67256890 0.57988210 0.99386115 1.0 O O82 1 0.17256890 0.92011790 0.00613885 1.0 O O83 1 0.32743110 0.42011790 0.49386115 1.0 O O84 1 0.17256890 0.92011790 0.49386115 1.0 O O85 1 0.32743110 0.42011790 0.00613885 1.0 O O86 1 0.82743110 0.07988210 0.99386115 1.0 O O87 1 0.67256890 0.57988210 0.50613885 1.0 O O88 1 0.84149845 0.42324894 0.99018444 1.0 O O89 1 0.65850155 0.92324894 0.50981556 1.0 O O90 1 0.15850155 0.57675106 0.49018444 1.0 O O91 1 0.34149845 0.07675106 0.00981556 1.0 O O92 1 0.15850155 0.57675106 0.00981556 1.0 O O93 1 0.34149845 0.07675106 0.49018444 1.0 O O94 1 0.84149845 0.42324894 0.50981556 1.0 O O95 1 0.65850155 0.92324894 0.99018444 1.0 O O96 1 0.57921655 0.07298219 0.41561433 1.0 O O97 1 0.92078345 0.57298219 0.08438567 1.0 O O98 1 0.42078345 0.92701781 0.91561433 1.0 O O99 1 0.07921655 0.42701781 0.58438567 1.0 O O100 1 0.42078345 0.92701781 0.58438567 1.0 O O101 1 0.07921655 0.42701781 0.91561433 1.0 O O102 1 0.57921655 0.07298219 0.08438567 1.0 O O103 1 0.92078345 0.57298219 0.41561433 1.0 O O104 1 0.56570023 0.41996960 0.08372267 1.0 O O105 1 0.93429977 0.91996960 0.41627733 1.0 O O106 1 0.43429977 0.58003040 0.58372267 1.0 O O107 1 0.06570023 0.08003040 0.91627733 1.0 O O108 1 0.43429977 0.58003040 0.91627733 1.0 O O109 1 0.06570023 0.08003040 0.58372267 1.0 O O110 1 0.56570023 0.41996960 0.41627733 1.0 O O111 1 0.93429977 0.91996960 0.08372267 1.0 O O112 1 0.85014511 0.06812366 0.32771205 1.0 O O113 1 0.64985489 0.56812366 0.17228795 1.0 O O114 1 0.14985489 0.93187634 0.82771205 1.0 O O115 1 0.35014511 0.43187634 0.67228795 1.0 O O116 1 0.14985489 0.93187634 0.67228795 1.0 O O117 1 0.35014511 0.43187634 0.82771205 1.0 O O118 1 0.85014511 0.06812366 0.17228795 1.0 O O119 1 0.64985489 0.56812366 0.32771205 1.0 O O120 1 0.83314112 0.41356900 0.17000190 1.0 O O121 1 0.66685888 0.91356900 0.32999810 1.0 O O122 1 0.16685888 0.58643100 0.67000190 1.0 O O123 1 0.33314112 0.08643100 0.82999810 1.0 O O124 1 0.16685888 0.58643100 0.82999810 1.0 O O125 1 0.33314112 0.08643100 0.67000190 1.0 O O126 1 0.83314112 0.41356900 0.32999810 1.0 O O127 1 0.66685888 0.91356900 0.17000190 1.0 O O128 1 0.84619932 0.75704266 0.00978030 1.0 O O129 1 0.65380068 0.25704266 0.49021970 1.0 O O130 1 0.15380068 0.24295734 0.50978030 1.0 O O131 1 0.34619932 0.74295734 0.99021970 1.0 O O132 1 0.15380068 0.24295734 0.99021970 1.0 O O133 1 0.34619932 0.74295734 0.50978030 1.0 O O134 1 0.84619932 0.75704266 0.49021970 1.0 O O135 1 0.65380068 0.25704266 0.00978030 1.0 O O136 1 0.81720235 0.73490538 0.16348232 1.0 O O137 1 0.68279765 0.23490538 0.33651768 1.0 O O138 1 0.18279765 0.26509462 0.66348232 1.0 O O139 1 0.31720235 0.76509462 0.83651768 1.0 O O140 1 0.18279765 0.26509462 0.83651768 1.0 O O141 1 0.31720235 0.76509462 0.66348232 1.0 O O142 1 0.81720235 0.73490538 0.33651768 1.0 O O143 1 0.68279765 0.23490538 0.16348232 1.0 O O144 1 0.60529259 0.74382388 0.07425905 1.0 O O145 1 0.89470741 0.24382388 0.42574095 1.0 O O146 1 0.39470741 0.25617612 0.57425905 1.0 O O147 1 0.10529259 0.75617612 0.92574095 1.0 O O148 1 0.39470741 0.25617612 0.92574095 1.0 O O149 1 0.10529259 0.75617612 0.57425905 1.0 O O150 1 0.60529259 0.74382388 0.42574095 1.0 O O151 1 0.89470741 0.24382388 0.07425905 1.0 O O152 1 0.40762851 0.56394383 0.25000000 1.0 O O153 1 0.09237149 0.06394383 0.25000000 1.0 O O154 1 0.59237149 0.43605617 0.75000000 1.0 O O155 1 0.90762851 0.93605617 0.75000000 1.0 O O156 1 0.41720275 0.91818236 0.25000000 1.0 O O157 1 0.08279725 0.41818236 0.25000000 1.0 O O158 1 0.58279725 0.08181764 0.75000000 1.0 O O159 1 0.91720275 0.58181764 0.75000000 1.0 O O160 1 0.82503358 0.07743381 0.66618928 1.0 O O161 1 0.67496642 0.57743381 0.83381072 1.0 O O162 1 0.17496642 0.92256619 0.16618928 1.0 O O163 1 0.32503358 0.42256619 0.33381072 1.0 O O164 1 0.17496642 0.92256619 0.33381072 1.0 O O165 1 0.32503358 0.42256619 0.16618928 1.0 O O166 1 0.82503358 0.07743381 0.83381072 1.0 O O167 1 0.67496642 0.57743381 0.66618928 1.0 O O168 1 0.83794355 0.43598018 0.83102080 1.0 O O169 1 0.66205645 0.93598018 0.66897920 1.0 O O170 1 0.16205645 0.56401982 0.33102080 1.0 O O171 1 0.33794355 0.06401982 0.16897920 1.0 O O172 1 0.16205645 0.56401982 0.16897920 1.0 O O173 1 0.33794355 0.06401982 0.33102080 1.0 O O174 1 0.83794355 0.43598018 0.66897920 1.0 O O175 1 0.66205645 0.93598018 0.83102080 1.0 O O176 1 0.93861484 0.91492544 0.25000000 1.0 O O177 1 0.56138516 0.41492544 0.25000000 1.0 O O178 1 0.06138516 0.08507456 0.75000000 1.0 O O179 1 0.43861484 0.58507456 0.75000000 1.0 O O180 1 0.92057217 0.56296538 0.25000000 1.0 O O181 1 0.57942783 0.06296538 0.25000000 1.0 O O182 1 0.07942783 0.43703462 0.75000000 1.0 O O183 1 0.42057217 0.93703462 0.75000000 1.0 O O184 1 0.59271897 0.43040932 0.58902335 1.0 O O185 1 0.90728103 0.93040932 0.91097665 1.0 O O186 1 0.40728103 0.56959068 0.08902335 1.0 O O187 1 0.09271897 0.06959068 0.41097665 1.0 O O188 1 0.40728103 0.56959068 0.41097665 1.0 O O189 1 0.09271897 0.06959068 0.08902335 1.0 O O190 1 0.59271897 0.43040932 0.91097665 1.0 O O191 1 0.90728103 0.93040932 0.58902335 1.0 O O192 1 0.57823802 0.07656801 0.91763073 1.0 O O193 1 0.92176198 0.57656801 0.58236927 1.0 O O194 1 0.42176198 0.92343199 0.41763073 1.0 O O195 1 0.07823802 0.42343199 0.08236927 1.0 O O196 1 0.42176198 0.92343199 0.08236927 1.0 O O197 1 0.07823802 0.42343199 0.41763073 1.0 O O198 1 0.57823802 0.07656801 0.58236927 1.0 O O199 1 0.92176198 0.57656801 0.91763073 1.0