# generated using pymatgen data_La20C20Cl13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94968457 _cell_length_b 7.82178727 _cell_length_c 43.17939703 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.23899752 _symmetry_Int_Tables_number 1 _chemical_formula_structural La20C20Cl13 _chemical_formula_sum 'La40 C40 Cl26' _cell_volume 2275.07697228 _cell_formula_units_Z 2 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 La La0 1 0.39295030 0.85708856 0.77168143 1.0 La La1 1 0.36266787 0.83569630 0.17184767 1.0 La La2 1 0.89157054 0.70560864 0.92996078 1.0 La La3 1 0.87343563 0.91594139 0.42262566 1.0 La La4 1 0.11841586 0.22418874 0.48001927 1.0 La La5 1 0.88534057 0.78352666 0.82284622 1.0 La La6 1 0.37343563 0.91594139 0.07737434 1.0 La La7 1 0.10704970 0.14291144 0.27168143 1.0 La La8 1 0.12371726 0.15484359 0.97265562 1.0 La La9 1 0.63733213 0.16430370 0.82815233 1.0 La La10 1 0.13733213 0.16430370 0.67184767 1.0 La La11 1 0.12410088 0.23819013 0.78003896 1.0 La La12 1 0.62371726 0.15484359 0.52734438 1.0 La La13 1 0.11465943 0.21647334 0.17715378 1.0 La La14 1 0.37628274 0.84515641 0.47265562 1.0 La La15 1 0.39157054 0.70560864 0.57003922 1.0 La La16 1 0.60704970 0.14291144 0.22831857 1.0 La La17 1 0.38158414 0.77581126 0.98001927 1.0 La La18 1 0.60842946 0.29439136 0.42996078 1.0 La La19 1 0.88158414 0.77581126 0.51998073 1.0 La La20 1 0.89295030 0.85708856 0.72831857 1.0 La La21 1 0.38534057 0.78352666 0.67715378 1.0 La La22 1 0.60059517 0.29150249 0.13023316 1.0 La La23 1 0.39940483 0.70849751 0.86976684 1.0 La La24 1 0.62656437 0.08405861 0.92262566 1.0 La La25 1 0.12789398 0.08998924 0.87896965 1.0 La La26 1 0.89940483 0.70849751 0.63023316 1.0 La La27 1 0.87210602 0.91001076 0.12103035 1.0 La La28 1 0.87589912 0.76180987 0.21996104 1.0 La La29 1 0.61465943 0.21647334 0.32284622 1.0 La La30 1 0.37210602 0.91001076 0.37896965 1.0 La La31 1 0.10059517 0.29150249 0.36976684 1.0 La La32 1 0.62410088 0.23819013 0.71996104 1.0 La La33 1 0.12656437 0.08405861 0.57737434 1.0 La La34 1 0.87628274 0.84515641 0.02734438 1.0 La La35 1 0.62789398 0.08998924 0.62103035 1.0 La La36 1 0.61841586 0.22418874 0.01998073 1.0 La La37 1 0.10842946 0.29439136 0.07003922 1.0 La La38 1 0.86266787 0.83569630 0.32815233 1.0 La La39 1 0.37589912 0.76180987 0.28003896 1.0 C C40 1 0.71968681 0.02036837 0.98490338 1.0 C C41 1 0.71278738 0.01974435 0.28553590 1.0 C C42 1 0.21715319 0.14137698 0.11324016 1.0 C C43 1 0.76157170 0.91242919 0.26365123 1.0 C C44 1 0.21968681 0.02036837 0.51509662 1.0 C C45 1 0.26900894 0.04304128 0.43615070 1.0 C C46 1 0.26741261 0.96681892 0.31622981 1.0 C C47 1 0.21776548 0.14637365 0.41403424 1.0 C C48 1 0.78031319 0.97963163 0.48490338 1.0 C C49 1 0.23842830 0.08757081 0.73634877 1.0 C C50 1 0.23552787 0.96778252 0.63501817 1.0 C C51 1 0.78284681 0.85862302 0.88675984 1.0 C C52 1 0.73842830 0.08757081 0.76365123 1.0 C C53 1 0.28284681 0.85862302 0.61324016 1.0 C C54 1 0.72030793 0.09402905 0.46580544 1.0 C C55 1 0.28721262 0.98025565 0.71446410 1.0 C C56 1 0.26157170 0.91242919 0.23634877 1.0 C C57 1 0.28967527 0.91582728 0.83433173 1.0 C C58 1 0.71715319 0.14137698 0.38675984 1.0 C C59 1 0.73552787 0.96778252 0.86498183 1.0 C C60 1 0.76900894 0.04304128 0.06384930 1.0 C C61 1 0.28223452 0.85362635 0.91403424 1.0 C C62 1 0.77969207 0.90597095 0.96580544 1.0 C C63 1 0.23258739 0.03318108 0.81622981 1.0 C C64 1 0.22030793 0.09402905 0.03419456 1.0 C C65 1 0.78223452 0.85362635 0.58596576 1.0 C C66 1 0.28031319 0.97963163 0.01509662 1.0 C C67 1 0.73258739 0.03318108 0.68377019 1.0 C C68 1 0.71032473 0.08417272 0.16566827 1.0 C C69 1 0.27969207 0.90597095 0.53419456 1.0 C C70 1 0.21278738 0.01974435 0.21446410 1.0 C C71 1 0.21032473 0.08417272 0.33433173 1.0 C C72 1 0.26447213 0.03221748 0.13501817 1.0 C C73 1 0.73099106 0.95695872 0.56384930 1.0 C C74 1 0.76447213 0.03221748 0.36498183 1.0 C C75 1 0.78721262 0.98025565 0.78553590 1.0 C C76 1 0.71776548 0.14637365 0.08596576 1.0 C C77 1 0.78967527 0.91582728 0.66566827 1.0 C C78 1 0.23099106 0.95695872 0.93615070 1.0 C C79 1 0.76741261 0.96681892 0.18377019 1.0 Cl Cl80 1 -0.00008393 0.47670539 0.30828910 1.0 Cl Cl81 1 0.97631799 0.64231149 0.07947862 1.0 Cl Cl82 1 1.00008393 0.52329461 0.69171090 1.0 Cl Cl83 1 0.47631799 0.64231149 0.42052138 1.0 Cl Cl84 1 0.47729778 0.58530534 0.03809687 1.0 Cl Cl85 1 0.99597288 0.59019426 0.76914710 1.0 Cl Cl86 1 0.50008393 0.52329461 0.80828910 1.0 Cl Cl87 1 0.02368201 0.35768851 0.92052138 1.0 Cl Cl88 1 0.47636834 0.57803754 0.34262936 1.0 Cl Cl89 1 0.02270222 0.41469466 0.53809687 1.0 Cl Cl90 1 0.00000000 0.50000000 0.00000000 1.0 Cl Cl91 1 0.47384346 0.64214987 0.11738347 1.0 Cl Cl92 1 0.02363166 0.42196246 0.84262936 1.0 Cl Cl93 1 0.52615654 0.35785013 0.88261653 1.0 Cl Cl94 1 0.52368201 0.35768851 0.57947862 1.0 Cl Cl95 1 0.49597288 0.59019426 0.73085290 1.0 Cl Cl96 1 0.52270222 0.41469466 0.96190313 1.0 Cl Cl97 1 0.97636834 0.57803754 0.15737064 1.0 Cl Cl98 1 0.00402712 0.40980574 0.23085290 1.0 Cl Cl99 1 0.49991607 0.47670539 0.19171090 1.0 Cl Cl100 1 0.50402712 0.40980574 0.26914710 1.0 Cl Cl101 1 0.52363166 0.42196246 0.65737064 1.0 Cl Cl102 1 0.02615654 0.35785013 0.61738347 1.0 Cl Cl103 1 0.50000000 0.50000000 0.50000000 1.0 Cl Cl104 1 0.97384346 0.64214987 0.38261653 1.0 Cl Cl105 1 0.97729778 0.58530534 0.46190313 1.0