# generated using pymatgen data_Mn7Fe(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50179100 _cell_length_b 8.50277504 _cell_length_c 11.84341101 _cell_angle_alpha 90.00256391 _cell_angle_beta 90.00116590 _cell_angle_gamma 90.00558620 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7Fe(PO4)12 _chemical_formula_sum 'Mn7 Fe1 P12 O48' _cell_volume 856.14615824 _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 Mn Mn0 1 0.96505000 0.24997700 0.38270000 1.0 Mn Mn1 1 0.53509500 0.25062900 0.61797600 1.0 Mn Mn2 1 0.03542100 0.24980000 0.88239400 1.0 Mn Mn3 1 0.46451400 0.24997500 0.11734800 1.0 Mn Mn4 1 0.53579400 0.75047600 0.88214200 1.0 Mn Mn5 1 0.96459200 0.75017100 0.11752200 1.0 Mn Mn6 1 0.03604200 0.74928700 0.61781300 1.0 Fe Fe7 1 0.46342800 0.74991900 0.38156200 1.0 P P8 1 0.24969300 0.03877200 0.50092400 1.0 P P9 1 0.75004600 0.46299700 0.99990800 1.0 P P10 1 0.24998600 0.53723100 0.00001200 1.0 P P11 1 0.75167600 0.96371900 0.50027000 1.0 P P12 1 0.39190700 0.10700400 0.85451600 1.0 P P13 1 0.10792900 0.10688500 0.14540800 1.0 P P14 1 0.60802300 0.39114300 0.35430400 1.0 P P15 1 0.89218400 0.39280800 0.64560500 1.0 P P16 1 0.10655000 0.60719100 0.35359800 1.0 P P17 1 0.39148000 0.60592700 0.64645600 1.0 P P18 1 0.60808900 0.89355900 0.14400500 1.0 P P19 1 0.89204300 0.89301300 0.85445400 1.0 O O20 1 0.64088800 0.05894400 0.57659700 1.0 O O21 1 0.85991800 0.06033500 0.42326200 1.0 O O22 1 0.90076500 0.07443000 0.84091100 1.0 O O23 1 0.60097300 0.07518900 0.15781400 1.0 O O24 1 0.15864600 0.14876400 0.41949100 1.0 O O25 1 0.34016800 0.14742900 0.58284700 1.0 O O26 1 0.43784500 0.15900900 0.97320000 1.0 O O27 1 0.06162700 0.15899300 0.02682300 1.0 O O28 1 0.22273200 0.15332700 0.82343100 1.0 O O29 1 0.27714200 0.15334300 0.17641200 1.0 O O30 1 0.51403200 0.17906600 0.77257400 1.0 O O31 1 0.98657200 0.17880600 0.22772700 1.0 O O32 1 0.01410300 0.32115000 0.72780100 1.0 O O33 1 0.48574500 0.31835200 0.27287500 1.0 O O34 1 0.77791900 0.34482300 0.32315700 1.0 O O35 1 0.72308000 0.34630600 0.67680300 1.0 O O36 1 0.56232000 0.33994200 0.47332700 1.0 O O37 1 0.93809000 0.34088600 0.52690500 1.0 O O38 1 0.84062900 0.35343100 0.91857700 1.0 O O39 1 0.65926800 0.35379100 0.08142300 1.0 O O40 1 0.09800900 0.42547300 0.34100500 1.0 O O41 1 0.40007500 0.42449100 0.66013000 1.0 O O42 1 0.14060000 0.44116300 0.92351200 1.0 O O43 1 0.35945400 0.44126800 0.07655000 1.0 O O44 1 0.64061300 0.55888600 0.92344500 1.0 O O45 1 0.85950000 0.55887100 0.07630200 1.0 O O46 1 0.60348900 0.57026400 0.34020900 1.0 O O47 1 0.90071800 0.57428000 0.65858800 1.0 O O48 1 0.34059200 0.64685200 0.91867300 1.0 O O49 1 0.15921700 0.64618100 0.08161500 1.0 O O50 1 0.06181100 0.65918400 0.47305300 1.0 O O51 1 0.43798100 0.65764000 0.52950900 1.0 O O52 1 0.22222300 0.65324000 0.67760900 1.0 O O53 1 0.27329700 0.65210200 0.32195800 1.0 O O54 1 0.51390700 0.67825800 0.72856300 1.0 O O55 1 0.98370000 0.67982300 0.27241000 1.0 O O56 1 0.01405900 0.82102300 0.77234300 1.0 O O57 1 0.48732300 0.82207200 0.22403200 1.0 O O58 1 0.72301700 0.84651800 0.82306600 1.0 O O59 1 0.77728000 0.84692900 0.17610700 1.0 O O60 1 0.56278600 0.84129800 0.02518400 1.0 O O61 1 0.93821200 0.84096700 0.97298100 1.0 O O62 1 0.66271200 0.85474400 0.42016700 1.0 O O63 1 0.84149200 0.85419900 0.58215300 1.0 O O64 1 0.09919400 0.92569600 0.15870700 1.0 O O65 1 0.40082700 0.92572400 0.84087100 1.0 O O66 1 0.14030300 0.94159000 0.57706900 1.0 O O67 1 0.35559100 0.94446400 0.42331400 1.0