# generated using pymatgen data_Sr4La13Cu17O35F16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92607900 _cell_length_b 3.94330500 _cell_length_c 66.66069500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4La13Cu17O35F16 _chemical_formula_sum 'Sr4 La13 Cu17 O35 F16' _cell_volume 1032.02267836 _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 0.50000000 0.91156300 1.0 Sr Sr1 1 0.50000000 0.50000000 0.96924500 1.0 Sr Sr2 1 0.50000000 0.50000000 0.79734200 1.0 Sr Sr3 1 0.50000000 0.50000000 0.85385100 1.0 La La4 1 0.50000000 0.50000000 0.73826700 1.0 La La5 1 0.50000000 0.50000000 0.61852700 1.0 La La6 1 0.50000000 0.50000000 0.67834000 1.0 La La7 1 0.50000000 0.50000000 0.50010500 1.0 La La8 1 0.50000000 0.50000000 0.55923400 1.0 La La9 1 0.50000000 0.50000000 0.38231400 1.0 La La10 1 0.50000000 0.50000000 0.44118700 1.0 La La11 1 0.50000000 0.50000000 0.26444800 1.0 La La12 1 0.50000000 0.50000000 0.32346700 1.0 La La13 1 0.50000000 0.50000000 0.14543900 1.0 La La14 1 0.50000000 0.50000000 0.20515600 1.0 La La15 1 0.50000000 0.50000000 0.08547000 1.0 La La16 1 0.50000000 0.50000000 0.02412000 1.0 Cu Cu17 1 0.00000000 0.00000000 0.99912500 1.0 Cu Cu18 1 0.00000000 0.00000000 0.11726500 1.0 Cu Cu19 1 0.00000000 0.00000000 0.94093300 1.0 Cu Cu20 1 0.00000000 0.00000000 0.88246600 1.0 Cu Cu21 1 0.00000000 0.00000000 0.82412600 1.0 Cu Cu22 1 0.00000000 0.00000000 0.76580400 1.0 Cu Cu23 1 0.00000000 0.00000000 0.70631200 1.0 Cu Cu24 1 0.00000000 0.00000000 0.64728200 1.0 Cu Cu25 1 0.00000000 0.00000000 0.58833500 1.0 Cu Cu26 1 0.00000000 0.00000000 0.52944500 1.0 Cu Cu27 1 0.00000000 0.00000000 0.47058900 1.0 Cu Cu28 1 0.00000000 0.00000000 0.41177000 1.0 Cu Cu29 1 0.00000000 0.00000000 0.35294500 1.0 Cu Cu30 1 0.00000000 0.00000000 0.29410000 1.0 Cu Cu31 1 0.00000000 0.00000000 0.23523200 1.0 Cu Cu32 1 0.00000000 0.00000000 0.17625800 1.0 Cu Cu33 1 0.00000000 0.00000000 0.05826800 1.0 O O34 1 0.00000000 0.00000000 0.97021500 1.0 O O35 1 0.00000000 0.00000000 0.91177000 1.0 O O36 1 0.00000000 0.00000000 0.85309500 1.0 O O37 1 0.00000000 0.00000000 0.79425300 1.0 O O38 1 0.00000000 0.00000000 0.73544900 1.0 O O39 1 0.00000000 0.00000000 0.67643300 1.0 O O40 1 0.00000000 0.00000000 0.61772300 1.0 O O41 1 0.00000000 0.00000000 0.55880200 1.0 O O42 1 0.00000000 0.00000000 0.50003100 1.0 O O43 1 0.00000000 0.00000000 0.44116800 1.0 O O44 1 0.00000000 0.00000000 0.08810000 1.0 O O45 1 0.00000000 0.50000000 0.00162700 1.0 O O46 1 0.00000000 0.50000000 0.88234100 1.0 O O47 1 0.50000000 0.00000000 0.00159600 1.0 O O48 1 0.50000000 0.00000000 0.94113200 1.0 O O49 1 0.50000000 0.00000000 0.82341500 1.0 O O50 1 0.50000000 0.00000000 0.76179300 1.0 O O51 1 0.50000000 0.00000000 0.70434900 1.0 O O52 1 0.50000000 0.00000000 0.64635200 1.0 O O53 1 0.50000000 0.00000000 0.58789700 1.0 O O54 1 0.50000000 0.00000000 0.52926900 1.0 O O55 1 0.50000000 0.00000000 0.47052500 1.0 O O56 1 0.50000000 0.00000000 0.41176900 1.0 O O57 1 0.00000000 0.00000000 0.32352600 1.0 O O58 1 0.50000000 0.00000000 0.35298300 1.0 O O59 1 0.50000000 0.00000000 0.29423900 1.0 O O60 1 0.00000000 0.00000000 0.38238400 1.0 O O61 1 0.00000000 0.00000000 0.26472500 1.0 O O62 1 0.00000000 0.00000000 0.20582900 1.0 O O63 1 0.50000000 0.00000000 0.23556500 1.0 O O64 1 0.50000000 0.00000000 0.17703000 1.0 O O65 1 0.50000000 0.00000000 0.11893300 1.0 O O66 1 0.50000000 0.00000000 0.06124500 1.0 O O67 1 0.00000000 0.00000000 0.02968400 1.0 O O68 1 0.00000000 0.00000000 0.14700600 1.0 F F69 1 0.00000000 0.50000000 0.94125500 1.0 F F70 1 0.00000000 0.50000000 0.82337900 1.0 F F71 1 0.00000000 0.50000000 0.76293200 1.0 F F72 1 0.00000000 0.50000000 0.70514500 1.0 F F73 1 0.00000000 0.50000000 0.64672100 1.0 F F74 1 0.00000000 0.50000000 0.58809000 1.0 F F75 1 0.00000000 0.50000000 0.52934900 1.0 F F76 1 0.00000000 0.50000000 0.47052800 1.0 F F77 1 0.00000000 0.50000000 0.41175600 1.0 F F78 1 0.00000000 0.50000000 0.35296800 1.0 F F79 1 0.00000000 0.50000000 0.29417400 1.0 F F80 1 0.00000000 0.50000000 0.23546000 1.0 F F81 1 0.00000000 0.50000000 0.17665400 1.0 F F82 1 0.00000000 0.50000000 0.11821400 1.0 F F83 1 0.00000000 0.50000000 0.06044600 1.0 F F84 1 0.50000000 0.00000000 0.88234700 1.0