# generated using pymatgen data_Mn2Fe3Ni(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58175481 _cell_length_b 8.58175481 _cell_length_c 8.58175546 _cell_angle_alpha 60.74852137 _cell_angle_beta 60.74852137 _cell_angle_gamma 60.74852039 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Fe3Ni(PO4)6 _chemical_formula_sum 'Mn2 Fe3 Ni1 P6 O24' _cell_volume 454.45073529 _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 0.00091600 0.00091600 0.00091600 1.0 Mn Mn1 1 0.50034100 0.50034100 0.50034100 1.0 Fe Fe2 1 0.85467200 0.85467200 0.85467200 1.0 Fe Fe3 1 0.64619400 0.64619400 0.64619400 1.0 Fe Fe4 1 0.35450800 0.35450800 0.35450800 1.0 Ni Ni5 1 0.14343500 0.14343500 0.14343500 1.0 P P6 1 0.95445300 0.24991300 0.54534300 1.0 P P7 1 0.54534300 0.95445300 0.24991300 1.0 P P8 1 0.24991300 0.54534300 0.95445300 1.0 P P9 1 0.75037200 0.45419500 0.04598100 1.0 P P10 1 0.45419500 0.04598100 0.75037200 1.0 P P11 1 0.04598100 0.75037200 0.45419500 1.0 O O12 1 0.89128700 0.68077500 0.49675600 1.0 O O13 1 0.68077500 0.49675600 0.89128700 1.0 O O14 1 0.94097800 0.09029700 0.74358200 1.0 O O15 1 0.49675600 0.89128700 0.68077500 1.0 O O16 1 0.98744200 0.18495100 0.39288500 1.0 O O17 1 0.75641400 0.40965300 0.56402900 1.0 O O18 1 0.74358200 0.94097800 0.09029700 1.0 O O19 1 0.56402900 0.75641400 0.40965300 1.0 O O20 1 0.81905900 0.60887400 0.00412900 1.0 O O21 1 0.40965300 0.56402900 0.75641400 1.0 O O22 1 0.90849400 0.25723900 0.05820800 1.0 O O23 1 0.60887400 0.00412900 0.81905900 1.0 O O24 1 0.39288500 0.98744200 0.18495100 1.0 O O25 1 0.09029700 0.74358200 0.94097800 1.0 O O26 1 0.59044300 0.44078800 0.24269900 1.0 O O27 1 0.18495100 0.39288500 0.98744200 1.0 O O28 1 0.44078800 0.24269900 0.59044300 1.0 O O29 1 0.25723900 0.05820800 0.90849400 1.0 O O30 1 0.24269900 0.59044300 0.44078800 1.0 O O31 1 0.00412900 0.81905900 0.60887400 1.0 O O32 1 0.50407000 0.10983100 0.31679800 1.0 O O33 1 0.05820800 0.90849400 0.25723900 1.0 O O34 1 0.31679800 0.50407000 0.10983100 1.0 O O35 1 0.10983100 0.31679800 0.50407000 1.0