# generated using pymatgen data_Fe2Ni3Sb(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45525778 _cell_length_b 8.45525778 _cell_length_c 8.45525729 _cell_angle_alpha 61.73663872 _cell_angle_beta 61.73663872 _cell_angle_gamma 61.73663242 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Ni3Sb(PO4)6 _chemical_formula_sum 'Fe2 Ni3 Sb1 P6 O24' _cell_volume 444.06523385 _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 Fe Fe0 1 0.01004200 0.01004200 0.01004200 1.0 Fe Fe1 1 0.49920600 0.49920600 0.49920600 1.0 Ni Ni2 1 0.14601600 0.14601600 0.14601600 1.0 Ni Ni3 1 0.35606500 0.35606500 0.35606500 1.0 Ni Ni4 1 0.64197000 0.64197000 0.64197000 1.0 Sb Sb5 1 0.85721900 0.85721900 0.85721900 1.0 P P6 1 0.45335300 0.74307500 0.04802700 1.0 P P7 1 0.54207000 0.25418500 0.95006700 1.0 P P8 1 0.95006700 0.54207000 0.25418500 1.0 P P9 1 0.25418500 0.95006700 0.54207000 1.0 P P10 1 0.74307500 0.04802700 0.45335300 1.0 P P11 1 0.04802700 0.45335300 0.74307500 1.0 O O12 1 0.31794500 0.10343900 0.51270200 1.0 O O13 1 0.51270200 0.31794500 0.10343900 1.0 O O14 1 0.90286400 0.05967100 0.25507800 1.0 O O15 1 0.10343900 0.51270200 0.31794500 1.0 O O16 1 0.81972700 0.00996300 0.61030200 1.0 O O17 1 0.59676100 0.25021900 0.44260800 1.0 O O18 1 0.05967100 0.25507800 0.90286400 1.0 O O19 1 0.25021900 0.44260800 0.59676100 1.0 O O20 1 0.39517700 0.17693600 0.98770400 1.0 O O21 1 0.44260800 0.59676100 0.25021900 1.0 O O22 1 0.75233100 0.09032800 0.93660000 1.0 O O23 1 0.98770400 0.39517700 0.17693600 1.0 O O24 1 0.00996300 0.61030200 0.81972700 1.0 O O25 1 0.25507800 0.90286400 0.05967100 1.0 O O26 1 0.56452000 0.40060100 0.74614200 1.0 O O27 1 0.61030200 0.81972700 0.00996300 1.0 O O28 1 0.74614200 0.56452000 0.40060100 1.0 O O29 1 0.93660000 0.75233100 0.09032800 1.0 O O30 1 0.40060100 0.74614200 0.56452000 1.0 O O31 1 0.17693600 0.98770400 0.39517700 1.0 O O32 1 0.89495900 0.50037900 0.67175200 1.0 O O33 1 0.09032800 0.93660000 0.75233100 1.0 O O34 1 0.50037900 0.67175200 0.89495900 1.0 O O35 1 0.67175200 0.89495900 0.50037900 1.0