# generated using pymatgen data_NaCa2La7Mn10O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48940438 _cell_length_b 5.49572586 _cell_length_c 55.11518657 _cell_angle_alpha 60.72338420 _cell_angle_beta 60.73221234 _cell_angle_gamma 60.87214132 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2La7Mn10O30 _chemical_formula_sum 'Na2 Ca4 La14 Mn20 O60' _cell_volume 1196.30176817 _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 Na Na0 1 0.24646104 0.24751531 0.62649476 1.0 Na Na1 1 0.24591350 0.25050850 0.72528711 1.0 Ca Ca2 1 0.74848110 0.74290171 0.47712611 1.0 Ca Ca3 1 0.75688289 0.75613081 0.77242746 1.0 Ca Ca4 1 0.75290753 0.75355097 0.87327579 1.0 Ca Ca5 1 0.75429053 0.75300155 0.97276523 1.0 La La6 1 0.25963382 0.25725881 0.02173630 1.0 La La7 1 0.25271871 0.25273718 0.12388927 1.0 La La8 1 0.24962709 0.25072720 0.22495017 1.0 La La9 1 0.75371640 0.75525229 0.07309218 1.0 La La10 1 0.24753124 0.24767837 0.32596996 1.0 La La11 1 0.75103843 0.75143220 0.17448368 1.0 La La12 1 0.24249247 0.23969798 0.42818768 1.0 La La13 1 0.74856205 0.74917172 0.27545357 1.0 La La14 1 0.24969228 0.24384011 0.52650765 1.0 La La15 1 0.74483170 0.74686648 0.37680106 1.0 La La16 1 0.73513966 0.74084813 0.57884829 1.0 La La17 1 0.25710168 0.25173235 0.82329312 1.0 La La18 1 0.75060158 0.74866935 0.67595297 1.0 La La19 1 0.25402176 0.25357980 0.92321568 1.0 Mn Mn20 1 0.00510365 0.00601095 0.99844507 1.0 Mn Mn21 1 0.00175500 0.00311617 0.09923139 1.0 Mn Mn22 1 0.99991960 0.00097635 0.19987596 1.0 Mn Mn23 1 0.50632597 0.50263675 0.04867396 1.0 Mn Mn24 1 0.50142492 0.50091284 0.14961818 1.0 Mn Mn25 1 0.99893528 0.99882496 0.30035668 1.0 Mn Mn26 1 0.99711482 0.99422838 0.40124802 1.0 Mn Mn27 1 0.49909482 0.49996834 0.25012598 1.0 Mn Mn28 1 0.99962879 0.99704168 0.50079364 1.0 Mn Mn29 1 0.49667083 0.49839826 0.35077351 1.0 Mn Mn30 1 0.49446996 0.49482138 0.45145430 1.0 Mn Mn31 1 0.99371625 0.99176682 0.60196651 1.0 Mn Mn32 1 0.49475054 0.49894171 0.55099182 1.0 Mn Mn33 1 0.00557947 0.00621679 0.79836470 1.0 Mn Mn34 1 0.50046377 0.49124240 0.65146926 1.0 Mn Mn35 1 0.50306796 0.50279216 0.74907971 1.0 Mn Mn36 1 0.99981076 0.99543985 0.70084168 1.0 Mn Mn37 1 0.00117180 0.00360712 0.89928646 1.0 Mn Mn38 1 0.50270851 0.50223100 0.84911008 1.0 Mn Mn39 1 0.50342417 0.50274191 0.94884899 1.0 O O40 1 0.18643211 0.75197182 0.03108819 1.0 O O41 1 0.31616904 0.18913040 0.07518139 1.0 O O42 1 0.25073724 0.68541226 0.08136595 1.0 O O43 1 0.75376701 0.31335552 0.01819821 1.0 O O44 1 0.18585389 0.74867341 0.13166568 1.0 O O45 1 0.68921229 0.81446578 0.02609382 1.0 O O46 1 0.31754493 0.18439842 0.17503536 1.0 O O47 1 0.81372059 0.25295775 0.06796405 1.0 O O48 1 0.24756171 0.68516127 0.18192676 1.0 O O49 1 0.75296303 0.31367414 0.11796485 1.0 O O50 1 0.18455313 0.74835456 0.23196247 1.0 O O51 1 0.68511932 0.81533451 0.12530944 1.0 O O52 1 0.31612071 0.18267598 0.27497009 1.0 O O53 1 0.81523045 0.25310002 0.16789066 1.0 O O54 1 0.24649977 0.68511143 0.28213833 1.0 O O55 1 0.75210943 0.31530668 0.21798102 1.0 O O56 1 0.18587414 0.74830586 0.33189962 1.0 O O57 1 0.68328011 0.81644887 0.22505077 1.0 O O58 1 0.31128579 0.18307313 0.37490437 1.0 O O59 1 0.81564475 0.25157919 0.26812554 1.0 O O60 1 0.24621663 0.68607655 0.38212276 1.0 O O61 1 0.75160852 0.31428780 0.31827068 1.0 O O62 1 0.18455057 0.74822549 0.43168317 1.0 O O63 1 0.68454263 0.81497656 0.32475354 1.0 O O64 1 0.31646218 0.17688626 0.47485960 1.0 O O65 1 0.81612978 0.24812811 0.36865774 1.0 O O66 1 0.24928216 0.68951873 0.48111908 1.0 O O67 1 0.74888518 0.31418500 0.41881588 1.0 O O68 1 0.18254327 0.74838169 0.53203578 1.0 O O69 1 0.68586052 0.81218842 0.42383211 1.0 O O70 1 0.30783183 0.19419650 0.57237727 1.0 O O71 1 0.81135530 0.24484118 0.46986058 1.0 O O72 1 0.24736907 0.70816603 0.57962017 1.0 O O73 1 0.74730418 0.31619401 0.51904788 1.0 O O74 1 0.19417700 0.75396819 0.63031696 1.0 O O75 1 0.68698389 0.80790714 0.52540966 1.0 O O76 1 0.31176594 0.18803522 0.67457044 1.0 O O77 1 0.80862139 0.25282413 0.56875849 1.0 O O78 1 0.24990747 0.68907959 0.68095531 1.0 O O79 1 0.75283769 0.30405423 0.61939160 1.0 O O80 1 0.18764543 0.74643417 0.73128824 1.0 O O81 1 0.69084789 0.81042832 0.62369151 1.0 O O82 1 0.31723634 0.17932354 0.77798423 1.0 O O83 1 0.80970739 0.25199936 0.66902991 1.0 O O84 1 0.24961871 0.68926324 0.78124423 1.0 O O85 1 0.74597199 0.31292750 0.71900661 1.0 O O86 1 0.18471337 0.74648715 0.83180213 1.0 O O87 1 0.68517132 0.81307340 0.72415681 1.0 O O88 1 0.31958229 0.18307892 0.87562304 1.0 O O89 1 0.79954464 0.25024210 0.77031200 1.0 O O90 1 0.25006582 0.68944022 0.88094134 1.0 O O91 1 0.75012290 0.31914155 0.81805577 1.0 O O92 1 0.18218463 0.75383360 0.93111539 1.0 O O93 1 0.69046390 0.80947622 0.82598789 1.0 O O94 1 0.32156883 0.18311437 0.97534279 1.0 O O95 1 0.80983688 0.25144103 0.86864388 1.0 O O96 1 0.25319248 0.68814479 0.98044843 1.0 O O97 1 0.75131347 0.31955317 0.91786479 1.0 O O98 1 0.68932603 0.81591822 0.92527249 1.0 O O99 1 0.81118874 0.25105063 0.96869933 1.0