# generated using pymatgen data_Mn7Cr(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46250900 _cell_length_b 8.49688980 _cell_length_c 11.80664134 _cell_angle_alpha 89.96760612 _cell_angle_beta 89.94490566 _cell_angle_gamma 89.91296616 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7Cr(PO4)12 _chemical_formula_sum 'Mn7 Cr1 P12 O48' _cell_volume 848.95511423 _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 0.03317600 0.24974200 0.61852400 1.0 Mn Mn1 1 0.46557200 0.25097700 0.38125800 1.0 Mn Mn2 1 0.96542600 0.24950300 0.11807400 1.0 Mn Mn3 1 0.53489200 0.25055400 0.88284500 1.0 Mn Mn4 1 0.46517100 0.75067000 0.11862500 1.0 Mn Mn5 1 0.03381200 0.75062200 0.88246500 1.0 Mn Mn6 1 0.96543500 0.74875200 0.38217800 1.0 Cr Cr7 1 0.53244800 0.74851300 0.61924300 1.0 P P8 1 0.75080600 0.03539000 0.49941000 1.0 P P9 1 0.24987100 0.46454100 0.00030700 1.0 P P10 1 0.74970100 0.53612800 0.00037600 1.0 P P11 1 0.24885600 0.96487600 0.49957100 1.0 P P12 1 0.60830800 0.10584300 0.14535200 1.0 P P13 1 0.89176200 0.10650200 0.85524100 1.0 P P14 1 0.39178700 0.39194300 0.64505900 1.0 P P15 1 0.10775700 0.39308200 0.35494700 1.0 P P16 1 0.89270800 0.60655600 0.64519200 1.0 P P17 1 0.60792200 0.60583500 0.35503500 1.0 P P18 1 0.39022600 0.89481200 0.85577000 1.0 P P19 1 0.10807700 0.89364400 0.14538400 1.0 O O20 1 0.35785800 0.06151700 0.42307500 1.0 O O21 1 0.14244900 0.05924000 0.57959000 1.0 O O22 1 0.09984000 0.07492000 0.15953800 1.0 O O23 1 0.40146200 0.07520700 0.83942300 1.0 O O24 1 0.83919700 0.14348100 0.58313800 1.0 O O25 1 0.65790800 0.14290100 0.41823100 1.0 O O26 1 0.56063400 0.15750600 0.02651500 1.0 O O27 1 0.93978800 0.15920200 0.97351700 1.0 O O28 1 0.77890500 0.14975000 0.17564900 1.0 O O29 1 0.72114000 0.15094600 0.82464300 1.0 O O30 1 0.48648000 0.18080600 0.22686100 1.0 O O31 1 0.01373300 0.17976800 0.77294000 1.0 O O32 1 0.98611000 0.32047600 0.27276600 1.0 O O33 1 0.51417900 0.32090000 0.72731300 1.0 O O34 1 0.22027900 0.35312500 0.67552600 1.0 O O35 1 0.27851000 0.34950100 0.32392300 1.0 O O36 1 0.43809700 0.34245500 0.52582700 1.0 O O37 1 0.05986100 0.33973600 0.47325400 1.0 O O38 1 0.15916500 0.35504800 0.08229100 1.0 O O39 1 0.34096700 0.35471700 0.91875100 1.0 O O40 1 0.89792200 0.42570800 0.66019600 1.0 O O41 1 0.60251300 0.42463100 0.34307500 1.0 O O42 1 0.85848700 0.43958300 0.07736800 1.0 O O43 1 0.64116500 0.44003900 0.92290500 1.0 O O44 1 0.35842300 0.56098300 0.07728600 1.0 O O45 1 0.14126900 0.56048400 0.92264800 1.0 O O46 1 0.40866800 0.57267700 0.65801100 1.0 O O47 1 0.09975900 0.57414800 0.34116200 1.0 O O48 1 0.65934400 0.64536800 0.08258100 1.0 O O49 1 0.83997800 0.64487000 0.91784600 1.0 O O50 1 0.93930500 0.65777700 0.52615500 1.0 O O51 1 0.56091600 0.66032000 0.47329300 1.0 O O52 1 0.77794800 0.65165000 0.32480700 1.0 O O53 1 0.72142700 0.65296500 0.67224300 1.0 O O54 1 0.48497000 0.67920000 0.27393200 1.0 O O55 1 0.01179100 0.68347500 0.72681000 1.0 O O56 1 0.98681200 0.81966100 0.22754300 1.0 O O57 1 0.50834700 0.82374000 0.76985000 1.0 O O58 1 0.27887600 0.85006600 0.17571300 1.0 O O59 1 0.22070100 0.84908400 0.82452400 1.0 O O60 1 0.44173100 0.84036200 0.97248400 1.0 O O61 1 0.06082500 0.84149500 0.02689200 1.0 O O62 1 0.34502500 0.85566400 0.57731600 1.0 O O63 1 0.16024600 0.85261700 0.41915400 1.0 O O64 1 0.89945100 0.92521600 0.84171000 1.0 O O65 1 0.59947200 0.92487200 0.16005900 1.0 O O66 1 0.86047600 0.93963300 0.42252600 1.0 O O67 1 0.64387300 0.93401300 0.57428600 1.0