# generated using pymatgen data_MnNb3O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62617830 _cell_length_b 7.09829662 _cell_length_c 12.38382394 _cell_angle_alpha 90.75481258 _cell_angle_beta 74.51230800 _cell_angle_gamma 62.17776585 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb3O6 _chemical_formula_sum 'Mn4 Nb12 O24' _cell_volume 489.89683378 _cell_formula_units_Z 4 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 0.25284300 0.49996800 0.49997500 1.0 Mn Mn1 1 0.74713700 0.00006800 0.00000400 1.0 Mn Mn2 1 0.25295500 0.99997600 0.99999600 1.0 Mn Mn3 1 0.74705000 0.50001200 0.49999700 1.0 Nb Nb4 1 0.19816600 0.74998800 0.25002500 1.0 Nb Nb5 1 0.19819800 0.24995600 0.75002900 1.0 Nb Nb6 1 0.80183500 0.75000600 0.24997700 1.0 Nb Nb7 1 0.80180300 0.25005200 0.74996900 1.0 Nb Nb8 1 0.22220200 0.30599100 0.24937100 1.0 Nb Nb9 1 0.22229600 0.80599400 0.74929700 1.0 Nb Nb10 1 0.77779700 0.19400000 0.25063700 1.0 Nb Nb11 1 0.77770800 0.69400800 0.75069500 1.0 Nb Nb12 1 0.77790800 0.97248400 0.47179400 1.0 Nb Nb13 1 0.77781800 0.47259000 0.97176600 1.0 Nb Nb14 1 0.22208200 0.52752800 0.02820500 1.0 Nb Nb15 1 0.22219400 0.02739500 0.52824100 1.0 O O16 1 0.85471500 0.21773200 0.07251000 1.0 O O17 1 0.85471200 0.71769900 0.57251300 1.0 O O18 1 0.14528600 0.28226700 0.42749400 1.0 O O19 1 0.14528900 0.78229900 0.92748500 1.0 O O20 1 0.34971300 0.22561800 0.07511500 1.0 O O21 1 0.34974300 0.72543400 0.57506900 1.0 O O22 1 0.65028000 0.27439100 0.42489200 1.0 O O23 1 0.65026800 0.77455300 0.92492700 1.0 O O24 1 0.41088000 0.64656700 0.08503100 1.0 O O25 1 0.41094200 0.14648400 0.58505400 1.0 O O26 1 0.14257000 0.85312000 0.41510600 1.0 O O27 1 0.14250700 0.35308300 0.91512300 1.0 O O28 1 0.58921200 0.04954900 0.21944300 1.0 O O29 1 0.58915300 0.54958900 0.71940900 1.0 O O30 1 0.85810700 0.45050700 0.28053300 1.0 O O31 1 0.85822900 0.95049000 0.78046500 1.0 O O32 1 0.58912000 0.85343700 0.41497100 1.0 O O33 1 0.58905900 0.35351300 0.91494800 1.0 O O34 1 0.85743200 0.64687600 0.08489700 1.0 O O35 1 0.85749400 0.14691500 0.58487900 1.0 O O36 1 0.41079000 0.45044500 0.28056200 1.0 O O37 1 0.41084700 0.95041400 0.78058900 1.0 O O38 1 0.14189500 0.04948600 0.21947100 1.0 O O39 1 0.14176600 0.54951600 0.71953600 1.0