# generated using pymatgen data_Mn5(PO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54065500 _cell_length_b 9.18508300 _cell_length_c 17.29266300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5(PO6)2 _chemical_formula_sum 'Mn20 P8 O48' _cell_volume 880.04741563 _cell_formula_units_Z 4 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 0.05039800 0.63868400 0.62520700 1.0 Mn Mn1 1 0.55039800 0.86131600 0.37479300 1.0 Mn Mn2 1 0.94960200 0.13868400 0.87479300 1.0 Mn Mn3 1 0.44960200 0.36131600 0.12520700 1.0 Mn Mn4 1 0.54827400 0.63227200 0.52908800 1.0 Mn Mn5 1 0.04827400 0.86772800 0.47091200 1.0 Mn Mn6 1 0.45172600 0.13227200 0.97091200 1.0 Mn Mn7 1 0.95172600 0.36772800 0.02908800 1.0 Mn Mn8 1 0.55843900 0.65876400 0.72025200 1.0 Mn Mn9 1 0.05843900 0.84123600 0.27974800 1.0 Mn Mn10 1 0.44156100 0.15876400 0.77974800 1.0 Mn Mn11 1 0.94156100 0.34123600 0.22025200 1.0 Mn Mn12 1 0.72255900 0.19838700 0.43490800 1.0 Mn Mn13 1 0.22255900 0.30161300 0.56509200 1.0 Mn Mn14 1 0.27744100 0.69838700 0.06509200 1.0 Mn Mn15 1 0.77744100 0.80161300 0.93490800 1.0 Mn Mn16 1 0.40320500 0.51489200 0.31184300 1.0 Mn Mn17 1 0.90320500 0.98510800 0.68815700 1.0 Mn Mn18 1 0.59679500 0.01489200 0.18815700 1.0 Mn Mn19 1 0.09679500 0.48510800 0.81184300 1.0 P P20 1 0.68841600 0.33041000 0.62058500 1.0 P P21 1 0.18841600 0.16959000 0.37941500 1.0 P P22 1 0.31158400 0.83041000 0.87941500 1.0 P P23 1 0.81158400 0.66959000 0.12058500 1.0 P P24 1 0.87299000 0.55469800 0.36602300 1.0 P P25 1 0.37299000 0.94530200 0.63397700 1.0 P P26 1 0.12701000 0.05469800 0.13397700 1.0 P P27 1 0.62701000 0.44530200 0.86602300 1.0 O O28 1 0.43671600 0.23612600 0.36295100 1.0 O O29 1 0.93671600 0.26387400 0.63704900 1.0 O O30 1 0.56328400 0.73612600 0.13704900 1.0 O O31 1 0.06328400 0.76387400 0.86295100 1.0 O O32 1 0.71535000 0.50339200 0.61698600 1.0 O O33 1 0.21535000 0.99660800 0.38301400 1.0 O O34 1 0.28465000 0.00339200 0.88301400 1.0 O O35 1 0.78465000 0.49660800 0.11698600 1.0 O O36 1 0.49008700 0.28740400 0.67798100 1.0 O O37 1 0.99008700 0.21259600 0.32201900 1.0 O O38 1 0.50991300 0.78740400 0.82201900 1.0 O O39 1 0.00991300 0.71259600 0.17798100 1.0 O O40 1 0.59031400 0.28320000 0.53906900 1.0 O O41 1 0.09031400 0.21680000 0.46093100 1.0 O O42 1 0.40968600 0.78320000 0.96093100 1.0 O O43 1 0.90968600 0.71680000 0.03906900 1.0 O O44 1 0.88644900 0.72553800 0.36484700 1.0 O O45 1 0.38644900 0.77446200 0.63515300 1.0 O O46 1 0.11355100 0.22553800 0.13515300 1.0 O O47 1 0.61355100 0.27446200 0.86484700 1.0 O O48 1 0.67356300 0.50798900 0.42282100 1.0 O O49 1 0.17356300 0.99201100 0.57717900 1.0 O O50 1 0.32643700 0.00798900 0.07717900 1.0 O O51 1 0.82643700 0.49201100 0.92282100 1.0 O O52 1 0.12275900 0.49188800 0.38004900 1.0 O O53 1 0.62275900 0.00811200 0.61995100 1.0 O O54 1 0.87724100 0.99188800 0.11995100 1.0 O O55 1 0.37724100 0.50811200 0.88004900 1.0 O O56 1 0.76872600 0.50295000 0.28503800 1.0 O O57 1 0.26872600 0.99705000 0.71496200 1.0 O O58 1 0.23127400 0.00295000 0.21496200 1.0 O O59 1 0.73127400 0.49705000 0.78503800 1.0 O O60 1 0.24104100 0.56310100 0.72009800 1.0 O O61 1 0.74104100 0.93689900 0.27990200 1.0 O O62 1 0.75895900 0.06310100 0.77990200 1.0 O O63 1 0.25895900 0.43689900 0.22009800 1.0 O O64 1 0.35417500 0.74241800 0.30587500 1.0 O O65 1 0.85417500 0.75758200 0.69412500 1.0 O O66 1 0.64582500 0.24241800 0.19412500 1.0 O O67 1 0.14582500 0.25758200 0.80587500 1.0 O O68 1 0.87844500 0.72537200 0.53351300 1.0 O O69 1 0.37844500 0.77462800 0.46648700 1.0 O O70 1 0.12155500 0.22537200 0.96648700 1.0 O O71 1 0.62155500 0.27462800 0.03351300 1.0 O O72 1 0.25482200 0.52456400 0.55828500 1.0 O O73 1 0.75482200 0.97543600 0.44171500 1.0 O O74 1 0.74517800 0.02456400 0.94171500 1.0 O O75 1 0.24517800 0.47543600 0.05828500 1.0