# generated using pymatgen data_Sr19Cu19O41 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56948900 _cell_length_b 74.88210781 _cell_length_c 5.56880800 _cell_angle_alpha 45.04663688 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr19Cu19O41 _chemical_formula_sum 'Sr19 Cu19 O41' _cell_volume 1053.37878954 _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 0.50000000 0.05230300 0.50311300 1.0 Sr Sr1 1 0.50000000 0.10520900 0.50049600 1.0 Sr Sr2 1 0.50000000 0.15784000 0.50051700 1.0 Sr Sr3 1 0.50000000 0.21049000 0.50035100 1.0 Sr Sr4 1 0.50000000 0.26319700 0.49966700 1.0 Sr Sr5 1 0.50000000 0.31575900 0.50030200 1.0 Sr Sr6 1 0.50000000 0.36846200 0.49960800 1.0 Sr Sr7 1 0.50000000 0.42108700 0.49965800 1.0 Sr Sr8 1 0.50000000 0.47374800 0.49936700 1.0 Sr Sr9 1 0.50000000 0.52664900 0.49683800 1.0 Sr Sr10 1 0.50000000 0.58095600 0.48093500 1.0 Sr Sr11 1 0.50000000 0.63170200 0.49884800 1.0 Sr Sr12 1 0.50000000 0.68245900 0.51662400 1.0 Sr Sr13 1 0.50000000 0.73892900 0.48018600 1.0 Sr Sr14 1 0.50000000 0.78949900 0.49974500 1.0 Sr Sr15 1 0.50000000 0.84005300 0.51949200 1.0 Sr Sr16 1 0.50000000 0.89658600 0.48243000 1.0 Sr Sr17 1 0.50000000 0.94722400 0.50137000 1.0 Sr Sr18 1 0.50000000 0.99785600 0.52037400 1.0 Cu Cu19 1 0.00000000 0.00109400 0.98962400 1.0 Cu Cu20 1 0.00000000 0.05249200 0.00127900 1.0 Cu Cu21 1 0.00000000 0.10508800 0.00164200 1.0 Cu Cu22 1 0.00000000 0.21053400 0.99995200 1.0 Cu Cu23 1 0.00000000 0.36842200 0.99994200 1.0 Cu Cu24 1 0.00000000 0.42110300 0.99949200 1.0 Cu Cu25 1 0.00000000 0.47383900 0.99850000 1.0 Cu Cu26 1 0.00000000 0.57786200 0.01032200 1.0 Cu Cu27 1 0.00000000 0.68556300 0.98714200 1.0 Cu Cu28 1 0.00000000 0.73548700 0.01284400 1.0 Cu Cu29 1 0.00000000 0.78948100 0.99985300 1.0 Cu Cu30 1 0.00000000 0.84344900 0.98723400 1.0 Cu Cu31 1 0.00000000 0.94740100 0.99971800 1.0 Cu Cu32 1 0.00000000 0.15786700 0.00024300 1.0 Cu Cu33 1 0.00000000 0.26313600 0.00026900 1.0 Cu Cu34 1 0.00000000 0.31581600 0.99977300 1.0 Cu Cu35 1 0.00000000 0.52643100 0.99891900 1.0 Cu Cu36 1 0.00000000 0.63152200 0.00061100 1.0 Cu Cu37 1 0.00000000 0.89337200 0.01293100 1.0 O O38 1 0.00000000 0.02683400 0.99500200 1.0 O O39 1 0.00000000 0.07886300 0.50333300 1.0 O O40 1 0.00000000 0.18419800 0.00030700 1.0 O O41 1 0.00000000 0.18419900 0.49995100 1.0 O O42 1 0.00000000 0.23687300 0.99970900 1.0 O O43 1 0.00000000 0.28946800 0.00005100 1.0 O O44 1 0.00000000 0.28947000 0.50017000 1.0 O O45 1 0.00000000 0.34209100 0.00018200 1.0 O O46 1 0.00000000 0.34208900 0.50006400 1.0 O O47 1 0.00000000 0.39475300 0.99973900 1.0 O O48 1 0.00000000 0.55208900 0.00509400 1.0 O O49 1 0.00000000 0.60307300 0.00345200 1.0 O O50 1 0.00000000 0.55208800 0.50528500 1.0 O O51 1 0.00000000 0.66022900 0.99787000 1.0 O O52 1 0.00000000 0.71055900 0.99943500 1.0 O O53 1 0.00000000 0.71055500 0.49987300 1.0 O O54 1 0.00000000 0.81813300 0.99782800 1.0 O O55 1 0.00000000 0.91869700 0.00220300 1.0 O O56 1 0.00000000 0.97590500 0.99669100 1.0 O O57 1 0.00000000 0.97590400 0.46115000 1.0 O O58 1 0.50000000 0.63165500 0.99926300 1.0 O O59 1 0.50000000 0.78947100 0.00014000 1.0 O O60 1 0.50000000 0.94730500 0.00057300 1.0 O O61 1 0.00000000 0.02683800 0.49518400 1.0 O O62 1 0.00000000 0.07886300 0.99819900 1.0 O O63 1 0.00000000 0.13159400 0.99951600 1.0 O O64 1 0.00000000 0.13159500 0.50019300 1.0 O O65 1 0.00000000 0.23687100 0.49975600 1.0 O O66 1 0.00000000 0.39475600 0.49991500 1.0 O O67 1 0.00000000 0.44736100 0.00055000 1.0 O O68 1 0.00000000 0.44736100 0.49952900 1.0 O O69 1 0.00000000 0.50006700 0.00174300 1.0 O O70 1 0.00000000 0.50006600 0.49699000 1.0 O O71 1 0.00000000 0.60307000 0.53822300 1.0 O O72 1 0.00000000 0.66023200 0.45774600 1.0 O O73 1 0.00000000 0.76081500 0.00207300 1.0 O O74 1 0.00000000 0.76081500 0.54241600 1.0 O O75 1 0.00000000 0.81813200 0.45767700 1.0 O O76 1 0.00000000 0.86841100 0.00030800 1.0 O O77 1 0.00000000 0.86841100 0.49986600 1.0 O O78 1 0.00000000 0.91869700 0.54253500 1.0