# generated using pymatgen data_MnNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87713838 _cell_length_b 3.87711913 _cell_length_c 10.35721754 _cell_angle_alpha 90.00104816 _cell_angle_beta 89.99972673 _cell_angle_gamma 90.00006411 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbO4 _chemical_formula_sum 'Mn2 Nb2 O8' _cell_volume 155.69101335 _cell_formula_units_Z 2 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 0.99994600 0.49998700 0.24998600 1.0 Mn Mn1 1 0.50005100 0.00000900 0.75001500 1.0 Nb Nb2 1 0.99999100 0.99999500 0.99993800 1.0 Nb Nb3 1 0.50000600 0.49999400 0.50006100 1.0 O O4 1 0.49999800 0.99999800 0.96340800 1.0 O O5 1 0.99999700 0.49999700 0.46357200 1.0 O O6 1 0.49999800 0.99999500 0.53658600 1.0 O O7 1 0.99999900 0.49999600 0.03643500 1.0 O O8 1 0.99996600 0.00000600 0.80035100 1.0 O O9 1 0.50004100 0.50000000 0.30045200 1.0 O O10 1 0.00001900 0.00001300 0.19956400 1.0 O O11 1 0.49998800 0.50001000 0.69963200 1.0