# generated using pymatgen data_Mn3Fe(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78523760 _cell_length_b 8.78523805 _cell_length_c 8.78523780 _cell_angle_alpha 58.15645536 _cell_angle_beta 58.15646095 _cell_angle_gamma 58.15646096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Fe(PO4)6 _chemical_formula_sum 'Mn3 Fe1 P6 O24' _cell_volume 459.19424544 _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 0.14491400 0.14491400 0.14491400 1.0 Mn Mn1 1 0.35535100 0.35535100 0.35535100 1.0 Mn Mn2 1 0.64580100 0.64580100 0.64580100 1.0 Fe Fe3 1 0.85736600 0.85736600 0.85736600 1.0 P P4 1 0.03553600 0.75042400 0.46320800 1.0 P P5 1 0.46320800 0.03553600 0.75042400 1.0 P P6 1 0.75042400 0.46320800 0.03553600 1.0 P P7 1 0.25448800 0.53192000 0.96608700 1.0 P P8 1 0.53192000 0.96608700 0.25448800 1.0 P P9 1 0.96608700 0.25448800 0.53192000 1.0 O O10 1 0.13977800 0.27805600 0.50880800 1.0 O O11 1 0.27805600 0.50880800 0.13977800 1.0 O O12 1 0.06037500 0.92614100 0.27802100 1.0 O O13 1 0.50880800 0.13977800 0.27805600 1.0 O O14 1 0.22102600 0.57631100 0.43345400 1.0 O O15 1 0.01341000 0.77274700 0.63426400 1.0 O O16 1 0.27802100 0.06037500 0.92614100 1.0 O O17 1 0.43345400 0.22102600 0.57631100 1.0 O O18 1 0.57631100 0.43345400 0.22102600 1.0 O O19 1 0.22883300 0.35904800 0.98844600 1.0 O O20 1 0.08170400 0.71333300 0.94068300 1.0 O O21 1 0.35904800 0.98844600 0.22883300 1.0 O O22 1 0.63426400 0.01341000 0.77274700 1.0 O O23 1 0.92614100 0.27802100 0.06037500 1.0 O O24 1 0.77274700 0.63426400 0.01341000 1.0 O O25 1 0.43015800 0.55595200 0.78153300 1.0 O O26 1 0.55595200 0.78153300 0.43015800 1.0 O O27 1 0.71333300 0.94068300 0.08170400 1.0 O O28 1 0.98844600 0.22883300 0.35904800 1.0 O O29 1 0.78153300 0.43015800 0.55595200 1.0 O O30 1 0.48487200 0.86225200 0.72569700 1.0 O O31 1 0.94068300 0.08170400 0.71333300 1.0 O O32 1 0.72569700 0.48487200 0.86225200 1.0 O O33 1 0.86225200 0.72569700 0.48487200 1.0