# generated using pymatgen data_Mn3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.89427538 _cell_length_b 7.49341914 _cell_length_c 8.78239288 _cell_angle_alpha 90.31087546 _cell_angle_beta 85.47420612 _cell_angle_gamma 90.94079772 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(PO4)4 _chemical_formula_sum 'Mn9 P12 O48' _cell_volume 845.80698146 _cell_formula_units_Z 3 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 0.83837100 0.50858500 0.67602000 1.0 Mn Mn1 1 0.82114100 0.36835000 0.26855400 1.0 Mn Mn2 1 0.83100600 0.98103500 0.15922400 1.0 Mn Mn3 1 0.50769300 0.85257800 0.90253600 1.0 Mn Mn4 1 0.49259700 0.00490700 0.48945100 1.0 Mn Mn5 1 0.50356300 0.46907600 0.00713400 1.0 Mn Mn6 1 0.17163300 0.99540700 0.84497600 1.0 Mn Mn7 1 0.15857600 0.14833300 0.43092500 1.0 Mn Mn8 1 0.16484200 0.53144500 0.32661200 1.0 P P9 1 0.27739700 0.80946700 0.53458600 1.0 P P10 1 0.39075100 0.31263700 0.31325300 1.0 P P11 1 0.38799300 0.19160700 0.80014400 1.0 P P12 1 0.27603000 0.68925500 0.02131100 1.0 P P13 1 0.60848600 0.78938000 0.19726700 1.0 P P14 1 0.61604300 0.66387000 0.68537900 1.0 P P15 1 0.71803300 0.16640900 0.48494200 1.0 P P16 1 0.72474500 0.29320400 0.96976300 1.0 P P17 1 0.94506300 0.70470700 0.36557900 1.0 P P18 1 0.05695700 0.21391600 0.13667600 1.0 P P19 1 0.94464000 0.82123400 0.85212300 1.0 P P20 1 0.05381000 0.33933300 0.64968300 1.0 O O21 1 0.92115300 0.86100800 0.02722100 1.0 O O22 1 0.93407700 0.31813700 0.66384500 1.0 O O23 1 0.93371700 0.20205000 0.16790500 1.0 O O24 1 0.92269400 0.64566200 0.53246600 1.0 O O25 1 0.91142700 0.95782300 0.74162100 1.0 O O26 1 0.89884600 0.62695900 0.83461400 1.0 O O27 1 0.90208900 0.56681400 0.25530700 1.0 O O28 1 0.89962500 0.88862700 0.33150200 1.0 O O29 1 0.76517900 0.10243300 0.99505700 1.0 O O30 1 0.06610400 0.71285100 0.33161100 1.0 O O31 1 0.06662400 0.82209500 0.82880000 1.0 O O32 1 0.09815900 0.40480400 0.16308800 1.0 O O33 1 0.08103900 0.36544300 0.46299600 1.0 O O34 1 0.10161800 0.08457700 0.25334900 1.0 O O35 1 0.10094900 0.46968900 0.74841200 1.0 O O36 1 0.08128400 0.14121800 0.97449200 1.0 O O37 1 0.10738100 0.14224500 0.64308800 1.0 O O38 1 0.40942600 0.13995800 0.63059300 1.0 O O39 1 0.23222300 0.94832700 0.42856500 1.0 O O40 1 0.22774200 0.62655600 0.49880600 1.0 O O41 1 0.26081700 0.65354200 0.19781200 1.0 O O42 1 0.25594100 0.86176200 0.70399600 1.0 O O43 1 0.24122000 0.54737400 0.91931300 1.0 O O44 1 0.26277700 0.30746600 0.34039300 1.0 O O45 1 0.26894600 0.18943600 0.83774100 1.0 O O46 1 0.40749100 0.34825000 0.13683600 1.0 O O47 1 0.39651300 0.81060100 0.49827900 1.0 O O48 1 0.40375700 0.69473000 0.99201200 1.0 O O49 1 0.42566600 0.45321800 0.41642100 1.0 O O50 1 0.75914800 0.03325700 0.58592000 1.0 O O51 1 0.43029700 0.11666500 0.33028000 1.0 O O52 1 0.43857200 0.37387000 0.83573900 1.0 O O53 1 0.43354000 0.05184200 0.90508300 1.0 O O54 1 0.56177000 0.91753200 0.08125500 1.0 O O55 1 0.56780700 0.59712300 0.17155100 1.0 O O56 1 0.55965400 0.85888400 0.69117800 1.0 O O57 1 0.58215600 0.86127800 0.35996600 1.0 O O58 1 0.57233100 0.53305600 0.58293500 1.0 O O59 1 0.58594800 0.63596800 0.87055700 1.0 O O60 1 0.59849500 0.18248800 0.49851700 1.0 O O61 1 0.60277200 0.28937400 0.99968400 1.0 O O62 1 0.72972000 0.79616200 0.16887800 1.0 O O63 1 0.73550800 0.68733300 0.67205500 1.0 O O64 1 0.74864200 0.14195400 0.30003500 1.0 O O65 1 0.77103400 0.42573900 0.08238400 1.0 O O66 1 0.74844900 0.36110500 0.80487200 1.0 O O67 1 0.77322100 0.36363100 0.48549400 1.0 O O68 1 0.23418800 0.88377700 0.00431600 1.0