# generated using pymatgen data_SrCaMn2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04211579 _cell_length_b 11.16680613 _cell_length_c 17.58989265 _cell_angle_alpha 108.49793532 _cell_angle_beta 108.40463216 _cell_angle_gamma 90.01717249 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaMn2O5 _chemical_formula_sum 'Sr16 Ca16 Mn32 O80' _cell_volume 1939.45594835 _cell_formula_units_Z 16 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 0.30883000 0.55983400 0.61123100 1.0 Sr Sr1 1 0.80754500 0.05665900 0.60872100 1.0 Sr Sr2 1 0.81065500 0.55864500 0.61119100 1.0 Sr Sr3 1 0.19583100 0.43900100 0.38631800 1.0 Sr Sr4 1 0.20101400 0.44258600 0.89406900 1.0 Sr Sr5 1 0.69635300 0.43941300 0.38620800 1.0 Sr Sr6 1 0.69764300 0.93756400 0.38591200 1.0 Sr Sr7 1 0.70214600 0.94113700 0.89386900 1.0 Sr Sr8 1 0.06098200 0.29985600 0.61057900 1.0 Sr Sr9 1 0.06002700 0.80228600 0.60981100 1.0 Sr Sr10 1 0.55911400 0.30114700 0.61082600 1.0 Sr Sr11 1 0.55920900 0.80175700 0.60968700 1.0 Sr Sr12 1 0.44584500 0.19709500 0.38635600 1.0 Sr Sr13 1 0.45141300 0.20171400 0.89221700 1.0 Sr Sr14 1 0.94711900 0.19624200 0.38632200 1.0 Sr Sr15 1 0.95034000 0.20189900 0.89344800 1.0 Ca Ca16 1 0.30522200 0.06358400 0.10449000 1.0 Ca Ca17 1 0.30695300 0.05898400 0.60399000 1.0 Ca Ca18 1 0.30543800 0.56403000 0.10578700 1.0 Ca Ca19 1 0.80378700 0.06355300 0.10406400 1.0 Ca Ca20 1 0.80703600 0.56303500 0.10618900 1.0 Ca Ca21 1 0.20171100 0.93614600 0.39194400 1.0 Ca Ca22 1 0.20438500 0.93872700 0.89957000 1.0 Ca Ca23 1 0.70334900 0.43960500 0.90007400 1.0 Ca Ca24 1 0.05399200 0.29113200 0.10497100 1.0 Ca Ca25 1 0.05594500 0.79176200 0.10481600 1.0 Ca Ca26 1 0.55286300 0.29072100 0.10347600 1.0 Ca Ca27 1 0.55542200 0.79092500 0.10292500 1.0 Ca Ca28 1 0.44811400 0.70420600 0.39200400 1.0 Ca Ca29 1 0.45145300 0.70948700 0.89832400 1.0 Ca Ca30 1 0.95019000 0.70474200 0.39202700 1.0 Ca Ca31 1 0.95395800 0.71025700 0.89957800 1.0 Mn Mn32 1 0.00971000 0.00062300 0.00373100 1.0 Mn Mn33 1 0.00470000 0.99797200 0.49734300 1.0 Mn Mn34 1 0.00717500 0.50258400 0.00330700 1.0 Mn Mn35 1 0.00227800 0.49966700 0.49761500 1.0 Mn Mn36 1 0.50794600 0.00080500 0.00282200 1.0 Mn Mn37 1 0.50219200 0.99860800 0.49744100 1.0 Mn Mn38 1 0.50842200 0.50225900 0.00299700 1.0 Mn Mn39 1 0.50190400 0.49900400 0.49722700 1.0 Mn Mn40 1 0.25814000 0.25212500 0.00365900 1.0 Mn Mn41 1 0.25342200 0.24799600 0.49855700 1.0 Mn Mn42 1 0.25834300 0.75230200 0.00300800 1.0 Mn Mn43 1 0.25260000 0.74897900 0.49692900 1.0 Mn Mn44 1 0.75830100 0.25397200 0.00466500 1.0 Mn Mn45 1 0.75289800 0.24912600 0.49835600 1.0 Mn Mn46 1 0.75844700 0.74955900 0.00171900 1.0 Mn Mn47 1 0.75257500 0.74697300 0.49628300 1.0 Mn Mn48 1 0.10476900 0.08539100 0.24355800 1.0 Mn Mn49 1 0.11844200 0.09318100 0.75564500 1.0 Mn Mn50 1 0.10525400 0.59837300 0.24487200 1.0 Mn Mn51 1 0.11473400 0.60417300 0.75662200 1.0 Mn Mn52 1 0.60326200 0.08551200 0.24147800 1.0 Mn Mn53 1 0.60876600 0.09984200 0.75185200 1.0 Mn Mn54 1 0.60367200 0.59217700 0.24318800 1.0 Mn Mn55 1 0.61289100 0.59647600 0.75909500 1.0 Mn Mn56 1 0.35328500 0.40834100 0.24342000 1.0 Mn Mn57 1 0.36828600 0.40819100 0.75618500 1.0 Mn Mn58 1 0.35070900 0.89767700 0.24406700 1.0 Mn Mn59 1 0.35979000 0.90497700 0.75387200 1.0 Mn Mn60 1 0.85458500 0.40911400 0.24438700 1.0 Mn Mn61 1 0.86018000 0.41512000 0.75958500 1.0 Mn Mn62 1 0.85877900 0.89619000 0.24165900 1.0 Mn Mn63 1 0.86793800 0.90317800 0.75422600 1.0 O O64 1 0.12840400 0.11835000 0.49383100 1.0 O O65 1 0.12996300 0.12118400 0.99490200 1.0 O O66 1 0.12088400 0.62369500 0.48943800 1.0 O O67 1 0.12495500 0.62610200 0.99322900 1.0 O O68 1 0.62492000 0.12226600 0.49434300 1.0 O O69 1 0.62919000 0.12592000 0.99794200 1.0 O O70 1 0.62195900 0.62298700 0.49159200 1.0 O O71 1 0.62678700 0.62140700 0.99061700 1.0 O O72 1 0.13751800 0.38290000 0.01722700 1.0 O O73 1 0.12920500 0.37550900 0.50270900 1.0 O O74 1 0.13838100 0.88013600 0.01309200 1.0 O O75 1 0.13095900 0.87609400 0.49903500 1.0 O O76 1 0.63940100 0.38456300 0.01669400 1.0 O O77 1 0.62842100 0.37547100 0.50084600 1.0 O O78 1 0.63645400 0.87799000 0.01346000 1.0 O O79 1 0.62526700 0.87106300 0.49747200 1.0 O O80 1 0.37143100 0.11616800 0.49174400 1.0 O O81 1 0.37521100 0.11781400 0.99337900 1.0 O O82 1 0.37577500 0.62396800 0.49273000 1.0 O O83 1 0.38011500 0.62447600 0.99395500 1.0 O O84 1 0.87756200 0.12159800 0.49666600 1.0 O O85 1 0.87967200 0.12249200 0.99746600 1.0 O O86 1 0.87525100 0.62232800 0.49186600 1.0 O O87 1 0.87555400 0.61843800 0.98991500 1.0 O O88 1 0.38766500 0.38553900 0.01556000 1.0 O O89 1 0.37851000 0.37617000 0.50192400 1.0 O O90 1 0.38777600 0.88355500 0.01424600 1.0 O O91 1 0.37787700 0.87850300 0.50273900 1.0 O O92 1 0.88534100 0.38573000 0.01416900 1.0 O O93 1 0.87840700 0.37572800 0.50125700 1.0 O O94 1 0.88990900 0.88199500 0.01505000 1.0 O O95 1 0.88050300 0.87333200 0.49898500 1.0 O O96 1 0.08686700 0.09010000 0.13335900 1.0 O O97 1 0.08707100 0.07488900 0.64028200 1.0 O O98 1 0.07517500 0.59608900 0.13114300 1.0 O O99 1 0.07176600 0.58350400 0.63892600 1.0 O O100 1 0.58005500 0.09232500 0.13153700 1.0 O O101 1 0.57459800 0.07850200 0.63526800 1.0 O O102 1 0.57822800 0.59606900 0.13173000 1.0 O O103 1 0.57636400 0.57985700 0.64341500 1.0 O O104 1 0.42967800 0.41765800 0.35687400 1.0 O O105 1 0.44900800 0.41543600 0.87328100 1.0 O O106 1 0.43198200 0.91325700 0.35895200 1.0 O O107 1 0.44904200 0.91337700 0.87025500 1.0 O O108 1 0.93082100 0.41720300 0.35762700 1.0 O O109 1 0.94563700 0.41502700 0.87267600 1.0 O O110 1 0.93749200 0.91442100 0.35747800 1.0 O O111 1 0.94954600 0.91092100 0.87173800 1.0 O O112 1 0.33425900 0.29120200 0.13328600 1.0 O O113 1 0.32963100 0.30134100 0.63938400 1.0 O O114 1 0.32531100 0.78681200 0.13145900 1.0 O O115 1 0.31945900 0.80372800 0.63835800 1.0 O O116 1 0.83627100 0.29362300 0.13455500 1.0 O O117 1 0.82586000 0.31579400 0.64435200 1.0 O O118 1 0.83148100 0.78357500 0.12924200 1.0 O O119 1 0.82420500 0.80651400 0.63666600 1.0 O O120 1 0.18109100 0.18888200 0.35721300 1.0 O O121 1 0.19450200 0.20617900 0.87061300 1.0 O O122 1 0.19125300 0.69773000 0.35965600 1.0 O O123 1 0.20319000 0.71281400 0.87296100 1.0 O O124 1 0.68166100 0.18337700 0.35622000 1.0 O O125 1 0.68852200 0.20922200 0.87005000 1.0 O O126 1 0.69007800 0.68726700 0.35753000 1.0 O O127 1 0.70283000 0.70725600 0.87200100 1.0 O O128 1 0.42460800 0.05852100 0.23808300 1.0 O O129 1 0.42675700 0.06611100 0.74516000 1.0 O O130 1 0.42626200 0.57788900 0.24627200 1.0 O O131 1 0.43869500 0.58308900 0.76216300 1.0 O O132 1 0.92599900 0.06202100 0.23692000 1.0 O O133 1 0.94276800 0.06721500 0.75255200 1.0 O O134 1 0.92661500 0.57741000 0.24748200 1.0 O O135 1 0.93690900 0.57968900 0.76373700 1.0 O O136 1 0.17400200 0.42830500 0.23796100 1.0 O O137 1 0.19040700 0.44183800 0.75384400 1.0 O O138 1 0.17368900 0.91740400 0.24584000 1.0 O O139 1 0.18696600 0.92719500 0.76256500 1.0 O O140 1 0.67301200 0.42407200 0.23671000 1.0 O O141 1 0.68290600 0.43013000 0.76275000 1.0 O O142 1 0.67934600 0.92155600 0.23720600 1.0 O O143 1 0.69261900 0.94193400 0.75422400 1.0