# generated using pymatgen data_Mn3FeNi2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43798530 _cell_length_b 8.43798530 _cell_length_c 8.43798578 _cell_angle_alpha 60.98977910 _cell_angle_beta 60.98977910 _cell_angle_gamma 60.98978302 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3FeNi2(PO4)6 _chemical_formula_sum 'Mn3 Fe1 Ni2 P6 O24' _cell_volume 434.28824657 _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 0.14203800 0.14203800 0.14203800 1.0 Mn Mn1 1 0.35866700 0.35866700 0.35866700 1.0 Mn Mn2 1 0.64214100 0.64214100 0.64214100 1.0 Fe Fe3 1 0.85715600 0.85715600 0.85715600 1.0 Ni Ni4 1 0.99925100 0.99925100 0.99925100 1.0 Ni Ni5 1 0.50079000 0.50079000 0.50079000 1.0 P P6 1 0.45417100 0.74935400 0.04418100 1.0 P P7 1 0.74935400 0.04418100 0.45417100 1.0 P P8 1 0.04418100 0.45417100 0.74935400 1.0 P P9 1 0.96026400 0.54237600 0.25042800 1.0 P P10 1 0.25042800 0.96026400 0.54237600 1.0 P P11 1 0.54237600 0.25042800 0.96026400 1.0 O O12 1 0.50287600 0.31673500 0.12042500 1.0 O O13 1 0.12042500 0.50287600 0.31673500 1.0 O O14 1 0.25285600 0.90883400 0.06202600 1.0 O O15 1 0.31673500 0.12042500 0.50287600 1.0 O O16 1 0.61161000 0.81283700 0.00989700 1.0 O O17 1 0.44077800 0.58466600 0.24547600 1.0 O O18 1 0.90883400 0.06202600 0.25285600 1.0 O O19 1 0.58466600 0.24547600 0.44077800 1.0 O O20 1 0.99264800 0.38501900 0.18620900 1.0 O O21 1 0.24547600 0.44077800 0.58466600 1.0 O O22 1 0.94423700 0.74222500 0.09241000 1.0 O O23 1 0.18620900 0.99264800 0.38501900 1.0 O O24 1 0.81283700 0.00989700 0.61161000 1.0 O O25 1 0.06202600 0.25285600 0.90883400 1.0 O O26 1 0.76042500 0.55317100 0.41412100 1.0 O O27 1 0.00989700 0.61161000 0.81283700 1.0 O O28 1 0.41412100 0.76042500 0.55317100 1.0 O O29 1 0.09241000 0.94423700 0.74222500 1.0 O O30 1 0.55317100 0.41412100 0.76042500 1.0 O O31 1 0.38501900 0.18620900 0.99264800 1.0 O O32 1 0.68637900 0.88576200 0.48755900 1.0 O O33 1 0.74222500 0.09241000 0.94423700 1.0 O O34 1 0.88576200 0.48755900 0.68637900 1.0 O O35 1 0.48755900 0.68637900 0.88576200 1.0