# generated using pymatgen data_Mn7Cu(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51408089 _cell_length_b 8.53339226 _cell_length_c 11.88193376 _cell_angle_alpha 90.03754151 _cell_angle_beta 90.01674498 _cell_angle_gamma 90.09285376 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7Cu(PO4)12 _chemical_formula_sum 'Mn7 Cu1 P12 O48' _cell_volume 863.26856386 _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 0.25017200 0.96576600 0.61688600 1.0 Mn Mn1 1 0.25106100 0.53567800 0.38163900 1.0 Mn Mn2 1 0.24937700 0.03493600 0.11722200 1.0 Mn Mn3 1 0.25074300 0.46385100 0.88426800 1.0 Mn Mn4 1 0.75082300 0.53529400 0.11757400 1.0 Mn Mn5 1 0.74971100 0.96479600 0.88342800 1.0 Mn Mn6 1 0.74866500 0.03564600 0.38232900 1.0 Cu Cu7 1 0.74909800 0.46180700 0.61613100 1.0 P P8 1 0.10673700 0.39160800 0.14592200 1.0 P P9 1 0.10644600 0.10838400 0.85445800 1.0 P P10 1 0.39079200 0.60987600 0.64593000 1.0 P P11 1 0.39295500 0.89235900 0.35398600 1.0 P P12 1 0.60770500 0.10496600 0.64667400 1.0 P P13 1 0.60550800 0.39030400 0.35260100 1.0 P P14 1 0.89380000 0.60953300 0.85616400 1.0 P P15 1 0.89312000 0.89160600 0.14591100 1.0 P P16 1 0.03914300 0.24904300 0.49888400 1.0 P P17 1 0.46260300 0.74989400 0.00027500 1.0 P P18 1 0.53743100 0.24985800 0.00002700 1.0 P P19 1 0.96418200 0.75135200 0.49885000 1.0 O O20 1 0.06007500 0.64276800 0.42241100 1.0 O O21 1 0.06002400 0.86041200 0.57561600 1.0 O O22 1 0.07467800 0.90034900 0.15855000 1.0 O O23 1 0.07497400 0.59844600 0.84043000 1.0 O O24 1 0.15071400 0.15838800 0.57888000 1.0 O O25 1 0.14625900 0.34222000 0.41752900 1.0 O O26 1 0.15736700 0.43888700 0.02694800 1.0 O O27 1 0.15823900 0.06099700 0.97266300 1.0 O O28 1 0.15237600 0.22224900 0.17579900 1.0 O O29 1 0.15276700 0.27784700 0.82428900 1.0 O O30 1 0.18187900 0.51256600 0.22724400 1.0 O O31 1 0.17923000 0.98867700 0.77141500 1.0 O O32 1 0.31928100 0.01232900 0.27187900 1.0 O O33 1 0.31973900 0.48771600 0.72831400 1.0 O O34 1 0.34315500 0.77855600 0.67629200 1.0 O O35 1 0.34779100 0.72244100 0.32359600 1.0 O O36 1 0.34098400 0.56152500 0.52741500 1.0 O O37 1 0.34131100 0.93823500 0.47274700 1.0 O O38 1 0.35382200 0.84166300 0.08107500 1.0 O O39 1 0.35312600 0.65864000 0.91897800 1.0 O O40 1 0.42619900 0.09567000 0.65958200 1.0 O O41 1 0.42338500 0.39833900 0.33916300 1.0 O O42 1 0.44086400 0.14192800 0.07685500 1.0 O O43 1 0.44139300 0.35860700 0.92299300 1.0 O O44 1 0.55918400 0.64157300 0.07651200 1.0 O O45 1 0.55848800 0.85856200 0.92311400 1.0 O O46 1 0.57106000 0.60396500 0.66316100 1.0 O O47 1 0.57471400 0.89983800 0.34227500 1.0 O O48 1 0.64691800 0.34158800 0.08043800 1.0 O O49 1 0.64578000 0.15806200 0.91881400 1.0 O O50 1 0.65927700 0.06199600 0.52739500 1.0 O O51 1 0.65311400 0.44272400 0.46954200 1.0 O O52 1 0.65172700 0.22122900 0.32198200 1.0 O O53 1 0.65106400 0.27266700 0.68108400 1.0 O O54 1 0.67564300 0.51196500 0.26941700 1.0 O O55 1 0.68138900 0.98336700 0.72801000 1.0 O O56 1 0.81989900 0.01198900 0.22828700 1.0 O O57 1 0.82164000 0.48632800 0.77621600 1.0 O O58 1 0.84765000 0.72219200 0.17671300 1.0 O O59 1 0.84922200 0.77852000 0.82521100 1.0 O O60 1 0.84341900 0.56460100 0.97504100 1.0 O O61 1 0.84132600 0.93864100 0.02751500 1.0 O O62 1 0.85448000 0.66381700 0.58076600 1.0 O O63 1 0.85399300 0.84157100 0.41795300 1.0 O O64 1 0.92486000 0.09956000 0.84116600 1.0 O O65 1 0.92536300 0.40041400 0.15876200 1.0 O O66 1 0.94136900 0.14104200 0.42280700 1.0 O O67 1 0.94872000 0.35778400 0.57799200 1.0