# generated using pymatgen data_MnFe(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33071240 _cell_length_b 7.33071152 _cell_length_c 9.94923179 _cell_angle_alpha 66.47483584 _cell_angle_beta 66.47483771 _cell_angle_gamma 70.12711258 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFe(PO3)4 _chemical_formula_sum 'Mn2 Fe2 P8 O24' _cell_volume 438.98527432 _cell_formula_units_Z 2 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 0.94999163 0.05000837 0.25000000 1.0 Mn Mn1 1 0.05000837 0.94999163 0.75000000 1.0 Fe Fe2 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe3 1 0.50000000 0.00000000 0.50000000 1.0 P P4 1 0.69907118 0.68986244 0.30108705 1.0 P P5 1 0.31013756 0.30092882 0.19891295 1.0 P P6 1 0.30092882 0.31013756 0.69891295 1.0 P P7 1 0.68986244 0.69907118 0.80108705 1.0 P P8 1 0.74139726 0.27720888 0.52387279 1.0 P P9 1 0.72279112 0.25860274 0.97612721 1.0 P P10 1 0.25860274 0.72279112 0.47612721 1.0 P P11 1 0.27720888 0.74139726 0.02387279 1.0 O O12 1 0.46513598 0.69651326 0.33831144 1.0 O O13 1 0.30348674 0.53486402 0.16168856 1.0 O O14 1 0.53486402 0.30348674 0.66168856 1.0 O O15 1 0.69651326 0.46513598 0.83831144 1.0 O O16 1 0.76601026 0.50695242 0.43835118 1.0 O O17 1 0.49304758 0.23398974 0.06164882 1.0 O O18 1 0.23398974 0.49304858 0.56164882 1.0 O O19 1 0.50695242 0.76601026 0.93835118 1.0 O O20 1 0.80959002 0.64864637 0.15247267 1.0 O O21 1 0.35135363 0.19040998 0.34752733 1.0 O O22 1 0.19040998 0.35135363 0.84752733 1.0 O O23 1 0.64864637 0.80959002 0.65247267 1.0 O O24 1 0.71676585 0.87793435 0.31667500 1.0 O O25 1 0.12206565 0.28323415 0.18332500 1.0 O O26 1 0.28323415 0.12206565 0.68332500 1.0 O O27 1 0.87793435 0.71676585 0.81667500 1.0 O O28 1 0.70587028 0.19990965 0.41923229 1.0 O O29 1 0.80009035 0.29412972 0.08076771 1.0 O O30 1 0.29412972 0.80009035 0.58076771 1.0 O O31 1 0.19990965 0.70587028 0.91923229 1.0 O O32 1 0.91108355 0.16550330 0.58795733 1.0 O O33 1 0.83449670 0.08891645 0.91204267 1.0 O O34 1 0.08891645 0.83449670 0.41204267 1.0 O O35 1 0.16550330 0.91108355 0.08795733 1.0