# generated using pymatgen data_Ca5La10Mn14(NiO24)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75200600 _cell_length_b 10.92968849 _cell_length_c 10.97420909 _cell_angle_alpha 89.89895370 _cell_angle_beta 89.96517627 _cell_angle_gamma 89.98278981 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5La10Mn14(NiO24)2 _chemical_formula_sum 'Ca5 La10 Mn14 Ni2 O48' _cell_volume 929.81027245 _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 Ca Ca0 1 0.75176300 0.75718900 0.26813000 1.0 Ca Ca1 1 0.25024000 0.00489800 0.48446200 1.0 Ca Ca2 1 0.25015400 0.50127400 0.48259900 1.0 Ca Ca3 1 0.24842900 0.24414600 0.72524300 1.0 Ca Ca4 1 0.24862800 0.74305400 0.72831900 1.0 La La5 1 0.75351900 0.49227700 0.02102400 1.0 La La6 1 0.75382000 0.00160400 0.02125500 1.0 La La7 1 0.24609600 0.24822400 0.24001200 1.0 La La8 1 0.24746300 0.74782200 0.23965300 1.0 La La9 1 0.75009200 0.49484400 0.50455500 1.0 La La10 1 0.75006600 0.00246800 0.50484000 1.0 La La11 1 0.75188000 0.25282400 0.75983600 1.0 La La12 1 0.75239100 0.75301400 0.76374100 1.0 La La13 1 0.24609800 0.00187100 0.98483100 1.0 La La14 1 0.24545800 0.49868600 0.98881200 1.0 Mn Mn15 1 0.50340100 0.00198200 0.25303700 1.0 Mn Mn16 1 0.50371500 0.49705200 0.25285300 1.0 Mn Mn17 1 0.49833500 0.24997000 0.49626900 1.0 Mn Mn18 1 0.49612200 0.74958600 0.50016900 1.0 Mn Mn19 1 0.49432900 0.00024700 0.74716200 1.0 Mn Mn20 1 0.49390500 0.50043400 0.74729800 1.0 Mn Mn21 1 0.99808800 0.49640600 0.25124900 1.0 Mn Mn22 1 0.99723100 0.00040400 0.25197100 1.0 Mn Mn23 1 0.00145800 0.24983200 0.49646400 1.0 Mn Mn24 1 0.00369600 0.74937500 0.50036500 1.0 Mn Mn25 1 0.00425300 0.00115700 0.74783500 1.0 Mn Mn26 1 0.00513500 0.50131100 0.74785100 1.0 Mn Mn27 1 0.50031200 0.24997400 0.00088100 1.0 Mn Mn28 1 0.50048700 0.74951900 0.00039800 1.0 Ni Ni29 1 0.99853900 0.24926400 0.00064200 1.0 Ni Ni30 1 0.00007600 0.74988800 0.99970200 1.0 O O31 1 0.25671000 0.27675400 0.01085500 1.0 O O32 1 0.25787800 0.78075000 0.01138000 1.0 O O33 1 0.03270700 0.10511300 0.11464200 1.0 O O34 1 0.03164000 0.60825700 0.11642000 1.0 O O35 1 0.46752700 0.10812000 0.10982000 1.0 O O36 1 0.46728800 0.61112300 0.11104200 1.0 O O37 1 0.52417400 0.36909100 0.13268200 1.0 O O38 1 0.53884500 0.86015900 0.13959500 1.0 O O39 1 0.98171000 0.37164400 0.13757300 1.0 O O40 1 0.96621600 0.86432400 0.14453900 1.0 O O41 1 0.75099400 0.02503000 0.25280800 1.0 O O42 1 0.75124200 0.53627800 0.25260600 1.0 O O43 1 0.25040200 0.47252200 0.25456400 1.0 O O44 1 0.25029200 0.96945700 0.25211600 1.0 O O45 1 0.04456200 0.13313200 0.36900200 1.0 O O46 1 0.03263400 0.64098000 0.36306400 1.0 O O47 1 0.45663400 0.13238500 0.36820500 1.0 O O48 1 0.46874900 0.64026600 0.36219600 1.0 O O49 1 0.51675200 0.39476700 0.39467400 1.0 O O50 1 0.53262300 0.88678500 0.38840000 1.0 O O51 1 0.98334000 0.39427000 0.39649500 1.0 O O52 1 0.96613900 0.88670900 0.39106400 1.0 O O53 1 0.75058300 0.22292500 0.51222800 1.0 O O54 1 0.75058700 0.71854000 0.50011800 1.0 O O55 1 0.24930000 0.28378000 0.50340900 1.0 O O56 1 0.24909300 0.78682900 0.50195100 1.0 O O57 1 0.46371000 0.10957200 0.61048100 1.0 O O58 1 0.46129400 0.61014200 0.60976700 1.0 O O59 1 0.03669000 0.10890900 0.60756300 1.0 O O60 1 0.03946800 0.60943800 0.60677500 1.0 O O61 1 0.53244700 0.36232500 0.63848600 1.0 O O62 1 0.53582700 0.86100200 0.63821500 1.0 O O63 1 0.96604900 0.36069100 0.63756500 1.0 O O64 1 0.96314100 0.85970600 0.63767200 1.0 O O65 1 0.74999400 0.02988200 0.74120200 1.0 O O66 1 0.75005500 0.53094900 0.74049100 1.0 O O67 1 0.24904900 0.46074400 0.75708100 1.0 O O68 1 0.24902700 0.96003200 0.75592500 1.0 O O69 1 0.03637500 0.13604600 0.85380700 1.0 O O70 1 0.03666400 0.63673600 0.85358300 1.0 O O71 1 0.45899700 0.13813300 0.85771900 1.0 O O72 1 0.45922500 0.64005600 0.85810100 1.0 O O73 1 0.53413500 0.39124200 0.88791300 1.0 O O74 1 0.53645200 0.89126000 0.89059600 1.0 O O75 1 0.96627500 0.39448500 0.88444700 1.0 O O76 1 0.96473000 0.89513300 0.88598900 1.0 O O77 1 0.74199900 0.22040300 0.98403900 1.0 O O78 1 0.74253500 0.71572500 0.98973700 1.0