# generated using pymatgen data_Mn6PO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.64491744 _cell_length_b 11.64491744 _cell_length_c 11.64491744 _cell_angle_alpha 131.70554317 _cell_angle_beta 131.70554317 _cell_angle_gamma 70.69448890 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6PO12 _chemical_formula_sum 'Mn24 P4 O48' _cell_volume 862.18646246 _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 0.97984000 0.97984000 0.45967900 1.0 Mn Mn1 1 0.87500000 0.62500000 0.75000000 1.0 Mn Mn2 1 0.59968800 0.87500000 0.22468800 1.0 Mn Mn3 1 0.02016000 0.47984000 0.00000000 1.0 Mn Mn4 1 0.37500000 0.62500000 0.25000000 1.0 Mn Mn5 1 0.22984000 0.72984000 0.95967900 1.0 Mn Mn6 1 0.27016000 0.22984000 0.50000000 1.0 Mn Mn7 1 0.72984000 0.77016000 0.50000000 1.0 Mn Mn8 1 0.47984000 0.02016000 0.00000000 1.0 Mn Mn9 1 0.52016000 0.52016000 0.54032100 1.0 Mn Mn10 1 0.12500000 0.34968800 0.72468800 1.0 Mn Mn11 1 0.65031200 0.37500000 0.77531200 1.0 Mn Mn12 1 0.87500000 0.12500000 0.25000000 1.0 Mn Mn13 1 0.15031200 0.37500000 0.27531200 1.0 Mn Mn14 1 0.37500000 0.12500000 0.25000000 1.0 Mn Mn15 1 0.37500000 0.62500000 0.75000000 1.0 Mn Mn16 1 0.12500000 0.84968800 0.22468800 1.0 Mn Mn17 1 0.37500000 0.12500000 0.75000000 1.0 Mn Mn18 1 0.62500000 0.90031200 0.77531200 1.0 Mn Mn19 1 0.62500000 0.40031200 0.27531200 1.0 Mn Mn20 1 0.77016000 0.27016000 0.04032100 1.0 Mn Mn21 1 0.09968800 0.87500000 0.72468800 1.0 Mn Mn22 1 0.87500000 0.62500000 0.25000000 1.0 Mn Mn23 1 0.87500000 0.12500000 0.75000000 1.0 P P24 1 0.75000000 0.25000000 0.50000000 1.0 P P25 1 0.25000000 0.75000000 0.50000000 1.0 P P26 1 0.50000000 0.50000000 0.00000000 1.0 P P27 1 0.00000000 0.00000000 0.00000000 1.0 O O28 1 0.16895900 0.14452300 0.67337700 1.0 O O29 1 0.08104100 0.25441800 0.47556400 1.0 O O30 1 0.55508900 0.53190300 0.73874200 1.0 O O31 1 0.46809700 0.20683900 0.02318600 1.0 O O32 1 0.69491100 0.93365300 0.47681400 1.0 O O33 1 0.71273100 0.39867700 0.51857000 1.0 O O34 1 0.50441800 0.83104100 0.97556400 1.0 O O35 1 0.30583800 0.61989200 0.51857000 1.0 O O36 1 0.94416200 0.96273100 0.81405400 1.0 O O37 1 0.56634700 0.80508900 0.52318600 1.0 O O38 1 0.18365300 0.44491100 0.97681400 1.0 O O39 1 0.88010800 0.19416200 0.48143000 1.0 O O40 1 0.24558200 0.41895900 0.52443600 1.0 O O41 1 0.89452300 0.72114600 0.47556400 1.0 O O42 1 0.97114600 0.64452300 0.97556400 1.0 O O43 1 0.74558200 0.22114600 0.82662300 1.0 O O44 1 0.05508900 0.31634700 0.02318600 1.0 O O45 1 0.21273100 0.69416200 0.31405400 1.0 O O46 1 0.39452300 0.91895900 0.17337700 1.0 O O47 1 0.35547700 0.33104100 0.32662300 1.0 O O48 1 0.95683900 0.43365300 0.23874200 1.0 O O49 1 0.58104100 0.10547700 0.82662300 1.0 O O50 1 0.29316100 0.03190300 0.97681400 1.0 O O51 1 0.00441800 0.02885400 0.67337700 1.0 O O52 1 0.64867700 0.46273100 0.01857000 1.0 O O53 1 0.79316100 0.81634700 0.26125800 1.0 O O54 1 0.47114600 0.49558200 0.32662300 1.0 O O55 1 0.36989200 0.35132300 0.81405400 1.0 O O56 1 0.86989200 0.05583800 0.01857000 1.0 O O57 1 0.38010800 0.89867700 0.68594600 1.0 O O58 1 0.28190300 0.04316100 0.47681400 1.0 O O59 1 0.68365300 0.70683900 0.73874200 1.0 O O60 1 0.66895900 0.99558200 0.02443600 1.0 O O61 1 0.06634700 0.54316100 0.76125800 1.0 O O62 1 0.77885400 0.60547700 0.52443600 1.0 O O63 1 0.44416200 0.63010800 0.98143000 1.0 O O64 1 0.85547700 0.52885400 0.02443600 1.0 O O65 1 0.14867700 0.13010800 0.18594600 1.0 O O66 1 0.53726900 0.55583800 0.18594600 1.0 O O67 1 0.45683900 0.21809700 0.52318600 1.0 O O68 1 0.60132300 0.11989200 0.31405400 1.0 O O69 1 0.10132300 0.78726900 0.48143000 1.0 O O70 1 0.80583800 0.28726900 0.68594600 1.0 O O71 1 0.27885400 0.75441800 0.17337700 1.0 O O72 1 0.19491100 0.71809700 0.76125800 1.0 O O73 1 0.96809700 0.94491100 0.26125800 1.0 O O74 1 0.78190300 0.30508900 0.23874200 1.0 O O75 1 0.03726900 0.85132300 0.98143000 1.0