# generated using pymatgen data_Mn5Nb(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72608685 _cell_length_b 8.72608685 _cell_length_c 8.72608743 _cell_angle_alpha 59.92581111 _cell_angle_beta 59.92581111 _cell_angle_gamma 59.92581187 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Nb(PO4)6 _chemical_formula_sum 'Mn5 Nb1 P6 O24' _cell_volume 469.04246913 _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 0.00511700 0.00511700 0.00511700 1.0 Mn Mn1 1 0.35543900 0.35543900 0.35543900 1.0 Mn Mn2 1 0.50033000 0.50033000 0.50033000 1.0 Mn Mn3 1 0.14670300 0.14670300 0.14670300 1.0 Mn Mn4 1 0.64458200 0.64458200 0.64458200 1.0 Nb Nb5 1 0.85603800 0.85603800 0.85603800 1.0 P P6 1 0.74783800 0.04562000 0.45095900 1.0 P P7 1 0.04562000 0.45095900 0.74783800 1.0 P P8 1 0.45095900 0.74783800 0.04562000 1.0 P P9 1 0.53925400 0.25613300 0.95665600 1.0 P P10 1 0.95665600 0.53925400 0.25613300 1.0 P P11 1 0.25613300 0.95665600 0.53925400 1.0 O O12 1 0.88844000 0.48910800 0.69040800 1.0 O O13 1 0.48910800 0.69040800 0.88844000 1.0 O O14 1 0.69040800 0.88844000 0.48910800 1.0 O O15 1 0.91497100 0.05925100 0.26264300 1.0 O O16 1 0.81381900 0.99265000 0.61554600 1.0 O O17 1 0.59123400 0.23698900 0.44618900 1.0 O O18 1 0.05925100 0.26264300 0.91497100 1.0 O O19 1 0.23698900 0.44618900 0.59123400 1.0 O O20 1 0.38593100 0.19452900 0.98949900 1.0 O O21 1 0.44618900 0.59123400 0.23698900 1.0 O O22 1 0.73620000 0.08828700 0.93454300 1.0 O O23 1 0.98949900 0.38593100 0.19452900 1.0 O O24 1 0.99265000 0.61554600 0.81381900 1.0 O O25 1 0.26264300 0.91497100 0.05925100 1.0 O O26 1 0.56040100 0.41292700 0.76014300 1.0 O O27 1 0.61554600 0.81381900 0.99265000 1.0 O O28 1 0.76014300 0.56040100 0.41292700 1.0 O O29 1 0.93454300 0.73620000 0.08828700 1.0 O O30 1 0.41292700 0.76014300 0.56040100 1.0 O O31 1 0.19452900 0.98949900 0.38593100 1.0 O O32 1 0.08828700 0.93454300 0.73620000 1.0 O O33 1 0.30812300 0.11058600 0.51292600 1.0 O O34 1 0.51292600 0.30812300 0.11058600 1.0 O O35 1 0.11058600 0.51292600 0.30812300 1.0