# generated using pymatgen data_Ti3Mn2Nb(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69164530 _cell_length_b 8.69164636 _cell_length_c 8.69164557 _cell_angle_alpha 60.58613488 _cell_angle_beta 60.58613399 _cell_angle_gamma 60.58613540 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Mn2Nb(PO4)6 _chemical_formula_sum 'Ti3 Mn2 Nb1 P6 O24' _cell_volume 470.43865179 _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 Ti Ti0 1 0.14541000 0.14541000 0.14541000 1.0 Ti Ti1 1 0.35521100 0.35521100 0.35521100 1.0 Ti Ti2 1 0.64515300 0.64515300 0.64515300 1.0 Mn Mn3 1 0.00096000 0.00096000 0.00096000 1.0 Mn Mn4 1 0.49927000 0.49927000 0.49927000 1.0 Nb Nb5 1 0.85672300 0.85672300 0.85672300 1.0 P P6 1 0.04510800 0.74906300 0.45207500 1.0 P P7 1 0.45207500 0.04510800 0.74906300 1.0 P P8 1 0.25566800 0.53839200 0.95700000 1.0 P P9 1 0.53839200 0.95700000 0.25566800 1.0 P P10 1 0.95700000 0.25566800 0.53839200 1.0 P P11 1 0.74906300 0.45207500 0.04510800 1.0 O O12 1 0.11551900 0.31403000 0.50040100 1.0 O O13 1 0.31403000 0.50040100 0.11551900 1.0 O O14 1 0.06023500 0.91185600 0.26228900 1.0 O O15 1 0.50040100 0.11551900 0.31403000 1.0 O O16 1 0.00733100 0.81176600 0.61023800 1.0 O O17 1 0.23623300 0.58820300 0.43918400 1.0 O O18 1 0.26228900 0.06023500 0.91185600 1.0 O O19 1 0.43918400 0.23623300 0.58820300 1.0 O O20 1 0.19018800 0.38330300 0.99672300 1.0 O O21 1 0.58820300 0.43918400 0.23623300 1.0 O O22 1 0.09327500 0.73215700 0.94144300 1.0 O O23 1 0.38330300 0.99672300 0.19018800 1.0 O O24 1 0.61023800 0.00733100 0.81176600 1.0 O O25 1 0.91185600 0.26228900 0.06023500 1.0 O O26 1 0.41420900 0.55700200 0.76404400 1.0 O O27 1 0.81176600 0.61023800 0.00733100 1.0 O O28 1 0.55700200 0.76404400 0.41420900 1.0 O O29 1 0.73215700 0.94144300 0.09327500 1.0 O O30 1 0.76404400 0.41420900 0.55700200 1.0 O O31 1 0.99672300 0.19018800 0.38330300 1.0 O O32 1 0.49618100 0.88506700 0.68908500 1.0 O O33 1 0.94144300 0.09327500 0.73215700 1.0 O O34 1 0.68908500 0.49618100 0.88506700 1.0 O O35 1 0.88506700 0.68908500 0.49618100 1.0