# generated using pymatgen data_Mn2V3Fe(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63311397 _cell_length_b 8.63311397 _cell_length_c 8.63311375 _cell_angle_alpha 60.03951551 _cell_angle_beta 60.03951551 _cell_angle_gamma 60.03951694 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2V3Fe(PO4)6 _chemical_formula_sum 'Mn2 V3 Fe1 P6 O24' _cell_volume 455.38239674 _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 0.99878100 0.99878100 0.99878100 1.0 Mn Mn1 1 0.49968500 0.49968500 0.49968500 1.0 V V2 1 0.35559700 0.35559700 0.35559700 1.0 V V3 1 0.14351000 0.14351000 0.14351000 1.0 V V4 1 0.64417000 0.64417000 0.64417000 1.0 Fe Fe5 1 0.85469100 0.85469100 0.85469100 1.0 P P6 1 0.45720900 0.75037800 0.04238100 1.0 P P7 1 0.75037800 0.04238100 0.45720900 1.0 P P8 1 0.04238100 0.45720900 0.75037800 1.0 P P9 1 0.95900300 0.54132100 0.25064800 1.0 P P10 1 0.25064800 0.95900300 0.54132100 1.0 P P11 1 0.54132100 0.25064800 0.95900300 1.0 O O12 1 0.69291800 0.88094500 0.49448400 1.0 O O13 1 0.88094500 0.49448400 0.69291800 1.0 O O14 1 0.49448400 0.69291800 0.88094500 1.0 O O15 1 0.26245000 0.91401200 0.05984200 1.0 O O16 1 0.61560500 0.80636900 0.00983700 1.0 O O17 1 0.43748800 0.58416500 0.23635600 1.0 O O18 1 0.91401200 0.05984200 0.26245000 1.0 O O19 1 0.58416500 0.23635600 0.43748800 1.0 O O20 1 0.99578200 0.38059100 0.19376700 1.0 O O21 1 0.23635600 0.43748800 0.58416500 1.0 O O22 1 0.94561100 0.73446400 0.08818500 1.0 O O23 1 0.19376700 0.99578200 0.38059100 1.0 O O24 1 0.80636900 0.00983700 0.61560500 1.0 O O25 1 0.05984200 0.26245000 0.91401200 1.0 O O26 1 0.76472900 0.55746300 0.41609100 1.0 O O27 1 0.00983700 0.61560500 0.80636900 1.0 O O28 1 0.41609100 0.76472900 0.55746300 1.0 O O29 1 0.08818500 0.94561100 0.73446400 1.0 O O30 1 0.55746300 0.41609100 0.76472900 1.0 O O31 1 0.38059100 0.19376700 0.99578200 1.0 O O32 1 0.73446400 0.08818500 0.94561100 1.0 O O33 1 0.49899000 0.31396600 0.11854100 1.0 O O34 1 0.11854100 0.49899000 0.31396600 1.0 O O35 1 0.31396600 0.11854100 0.49899000 1.0