# generated using pymatgen data_Sr3La21Zn2(Cu5O24)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36805000 _cell_length_b 5.53392500 _cell_length_c 39.24638072 _cell_angle_alpha 89.80141967 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3La21Zn2(Cu5O24)2 _chemical_formula_sum 'Sr3 La21 Zn2 Cu10 O48' _cell_volume 1165.86113616 _cell_formula_units_Z 1 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 Sr Sr0 1 0.00000000 0.50307700 0.54577700 1.0 Sr Sr1 1 0.00000000 0.50292000 0.21357100 1.0 Sr Sr2 1 0.50000000 0.50198200 0.04835600 1.0 La La3 1 0.00000000 0.51134900 0.88103000 1.0 La La4 1 0.00000000 0.01518700 0.95490400 1.0 La La5 1 0.50000000 0.51357000 0.71275800 1.0 La La6 1 0.50000000 0.01533500 0.78632200 1.0 La La7 1 0.50000000 0.98436800 0.88132800 1.0 La La8 1 0.50000000 0.48611700 0.95584400 1.0 La La9 1 0.00000000 0.01864900 0.61761600 1.0 La La10 1 0.00000000 0.98323700 0.71325600 1.0 La La11 1 0.00000000 0.48658800 0.78713300 1.0 La La12 1 0.50000000 0.51297500 0.37920100 1.0 La La13 1 0.50000000 0.01260100 0.45289300 1.0 La La14 1 0.50000000 0.97973700 0.54491500 1.0 La La15 1 0.50000000 0.49187000 0.61858400 1.0 La La16 1 0.00000000 0.01477100 0.28561700 1.0 La La17 1 0.00000000 0.98519000 0.37917500 1.0 La La18 1 0.00000000 0.48373900 0.45364000 1.0 La La19 1 0.50000000 0.01360800 0.11999600 1.0 La La20 1 0.50000000 0.98288600 0.21248200 1.0 La La21 1 0.50000000 0.48675100 0.28568400 1.0 La La22 1 0.00000000 0.98102600 0.04751100 1.0 La La23 1 0.00000000 0.48755100 0.12121300 1.0 Zn Zn24 1 0.00000000 0.99855600 0.83510700 1.0 Zn Zn25 1 0.50000000 0.00314600 0.66385900 1.0 Cu Cu26 1 0.50000000 0.50069200 0.83384100 1.0 Cu Cu27 1 0.00000000 0.99592800 0.50004100 1.0 Cu Cu28 1 0.00000000 0.49776200 0.66576100 1.0 Cu Cu29 1 0.50000000 0.49710500 0.49913500 1.0 Cu Cu30 1 0.00000000 0.49885700 0.33202500 1.0 Cu Cu31 1 0.50000000 0.99627800 0.00213900 1.0 Cu Cu32 1 0.50000000 0.49802200 0.16601100 1.0 Cu Cu33 1 0.50000000 0.99982200 0.33346900 1.0 Cu Cu34 1 0.00000000 0.49952400 0.00153800 1.0 Cu Cu35 1 0.00000000 0.99710400 0.16792200 1.0 O O36 1 0.24642500 0.75063200 0.99542900 1.0 O O37 1 0.00000000 0.94913100 0.89238500 1.0 O O38 1 0.00000000 0.44267500 0.93766800 1.0 O O39 1 0.74501300 0.74427400 0.82879500 1.0 O O40 1 0.74577400 0.25692700 0.83759400 1.0 O O41 1 0.75357500 0.75063200 0.99542900 1.0 O O42 1 0.50000000 0.94455500 0.72766400 1.0 O O43 1 0.50000000 0.43245800 0.77062700 1.0 O O44 1 0.50000000 0.56577700 0.89642500 1.0 O O45 1 0.50000000 0.05612900 0.93816700 1.0 O O46 1 0.24609800 0.74346600 0.66348300 1.0 O O47 1 0.24565600 0.25482400 0.67235700 1.0 O O48 1 0.25498700 0.74427400 0.82879500 1.0 O O49 1 0.25422600 0.25692700 0.83759400 1.0 O O50 1 0.00000000 0.96542400 0.56065800 1.0 O O51 1 0.00000000 0.43320200 0.60718500 1.0 O O52 1 0.00000000 0.56688300 0.73012400 1.0 O O53 1 0.00000000 0.05381400 0.77342500 1.0 O O54 1 0.74602300 0.75032000 0.49505500 1.0 O O55 1 0.74499000 0.24304700 0.50130200 1.0 O O56 1 0.75390200 0.74346600 0.66348300 1.0 O O57 1 0.75434400 0.25482400 0.67235700 1.0 O O58 1 0.50000000 0.94347500 0.39417100 1.0 O O59 1 0.50000000 0.44531200 0.43753500 1.0 O O60 1 0.50000000 0.56606500 0.56223200 1.0 O O61 1 0.50000000 0.05083400 0.60739600 1.0 O O62 1 0.25184600 0.75101400 0.32968900 1.0 O O63 1 0.25171800 0.24819200 0.33758300 1.0 O O64 1 0.25397700 0.75032000 0.49505500 1.0 O O65 1 0.25501000 0.24304700 0.50130200 1.0 O O66 1 0.00000000 0.96877000 0.22816100 1.0 O O67 1 0.00000000 0.44790900 0.27630900 1.0 O O68 1 0.00000000 0.55424900 0.39427600 1.0 O O69 1 0.00000000 0.05556300 0.43753200 1.0 O O70 1 0.74949500 0.75344000 0.16288000 1.0 O O71 1 0.74797700 0.24160300 0.16898000 1.0 O O72 1 0.74815400 0.75101400 0.32968900 1.0 O O73 1 0.74828200 0.24819200 0.33758300 1.0 O O74 1 0.50000000 0.97466500 0.06082000 1.0 O O75 1 0.50000000 0.45680900 0.11070300 1.0 O O76 1 0.50000000 0.55377300 0.22764600 1.0 O O77 1 0.50000000 0.05611100 0.27179000 1.0 O O78 1 0.24494600 0.24514800 0.00146700 1.0 O O79 1 0.25050500 0.75344000 0.16288000 1.0 O O80 1 0.25202300 0.24160300 0.16898000 1.0 O O81 1 0.00000000 0.56027400 0.06252600 1.0 O O82 1 0.00000000 0.05356900 0.10526500 1.0 O O83 1 0.75505400 0.24514800 0.00146700 1.0