# generated using pymatgen data_Mn7Sn(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52922700 _cell_length_b 8.53223424 _cell_length_c 11.89141990 _cell_angle_alpha 89.99377358 _cell_angle_beta 89.95401466 _cell_angle_gamma 89.98644198 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7Sn(PO4)12 _chemical_formula_sum 'Mn7 Sn1 P12 O48' _cell_volume 865.37830465 _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 0.25016600 0.96464200 0.61608000 1.0 Mn Mn1 1 0.24997600 0.53537500 0.38211300 1.0 Mn Mn2 1 0.24976700 0.03543900 0.11708800 1.0 Mn Mn3 1 0.24935100 0.46559600 0.88284600 1.0 Mn Mn4 1 0.75062400 0.53578700 0.11780100 1.0 Mn Mn5 1 0.75052700 0.96360600 0.88319500 1.0 Mn Mn6 1 0.74979900 0.03535300 0.38171300 1.0 Sn Sn7 1 0.74907000 0.46468000 0.62178700 1.0 P P8 1 0.04262100 0.24722500 0.49721500 1.0 P P9 1 0.46409400 0.75004500 0.00015500 1.0 P P10 1 0.53652600 0.24992500 0.99947800 1.0 P P11 1 0.96637300 0.75553400 0.49796000 1.0 P P12 1 0.10740800 0.39154700 0.14521700 1.0 P P13 1 0.10721500 0.10898300 0.85500000 1.0 P P14 1 0.38534900 0.61091100 0.64601500 1.0 P P15 1 0.39319100 0.89155900 0.35433100 1.0 P P16 1 0.60642500 0.09931600 0.64711800 1.0 P P17 1 0.60331800 0.38958500 0.34956200 1.0 P P18 1 0.89619100 0.60963700 0.86067700 1.0 P P19 1 0.89251900 0.89172100 0.14554400 1.0 O O20 1 0.06099600 0.64311300 0.42291300 1.0 O O21 1 0.06264900 0.86536100 0.57278700 1.0 O O22 1 0.07371300 0.90185000 0.15798700 1.0 O O23 1 0.07731100 0.60404600 0.84720000 1.0 O O24 1 0.15319000 0.15660400 0.57708900 1.0 O O25 1 0.15101200 0.33838200 0.41554400 1.0 O O26 1 0.16051600 0.43798500 0.02737000 1.0 O O27 1 0.15975500 0.06129200 0.97291500 1.0 O O28 1 0.15313500 0.22228700 0.17551200 1.0 O O29 1 0.15228200 0.27835900 0.82495900 1.0 O O30 1 0.17739100 0.51366100 0.22807400 1.0 O O31 1 0.17720800 0.98896100 0.77091800 1.0 O O32 1 0.32103800 0.01193300 0.27144100 1.0 O O33 1 0.31374400 0.48858900 0.72781100 1.0 O O34 1 0.33533600 0.77861800 0.67579000 1.0 O O35 1 0.34757300 0.72234300 0.32415300 1.0 O O36 1 0.33773700 0.56111700 0.52702500 1.0 O O37 1 0.34198500 0.93792000 0.47281700 1.0 O O38 1 0.35364500 0.84110800 0.08047300 1.0 O O39 1 0.35583400 0.65834200 0.91920700 1.0 O O40 1 0.42536700 0.08990300 0.65884300 1.0 O O41 1 0.42246200 0.40150000 0.33518700 1.0 O O42 1 0.44041400 0.14127000 0.07629300 1.0 O O43 1 0.44026600 0.35832700 0.92301700 1.0 O O44 1 0.55992100 0.64098100 0.07644700 1.0 O O45 1 0.55999800 0.85946800 0.92422600 1.0 O O46 1 0.56494100 0.60884300 0.66090200 1.0 O O47 1 0.57456600 0.90131200 0.34174600 1.0 O O48 1 0.64702900 0.34150000 0.07913100 1.0 O O49 1 0.64612000 0.15756800 0.91927400 1.0 O O50 1 0.66078100 0.06044700 0.52759500 1.0 O O51 1 0.65497100 0.43972700 0.46618300 1.0 O O52 1 0.65073200 0.22013600 0.32140600 1.0 O O53 1 0.64765100 0.26662700 0.68237100 1.0 O O54 1 0.67574700 0.51060300 0.26769300 1.0 O O55 1 0.67777100 0.97697000 0.72887000 1.0 O O56 1 0.82048000 0.01359000 0.22746500 1.0 O O57 1 0.82322400 0.48533000 0.78353000 1.0 O O58 1 0.84564800 0.72329600 0.17744200 1.0 O O59 1 0.84840400 0.77742700 0.82727300 1.0 O O60 1 0.84488000 0.56869600 0.97991900 1.0 O O61 1 0.84013600 0.93882300 0.02750800 1.0 O O62 1 0.85851100 0.66947200 0.58078500 1.0 O O63 1 0.85826100 0.84465700 0.41515500 1.0 O O64 1 0.92572100 0.09750400 0.84153200 1.0 O O65 1 0.92620400 0.40184600 0.15907400 1.0 O O66 1 0.94201600 0.14075600 0.42229100 1.0 O O67 1 0.95121800 0.35508700 0.57596200 1.0