# generated using pymatgen data_MgNb5O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62377387 _cell_length_b 5.62377387 _cell_length_c 6.85297400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999848 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb5O9 _chemical_formula_sum 'Mg1 Nb5 O9' _cell_volume 187.70049661 _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 Mg Mg0 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb2 1 0.66666700 0.33333300 0.33892000 1.0 Nb Nb3 1 0.33333300 0.66666700 0.18149800 1.0 Nb Nb4 1 0.33333300 0.66666700 0.66108000 1.0 Nb Nb5 1 0.66666700 0.33333300 0.81850200 1.0 O O6 1 0.50000000 0.00000000 0.00000000 1.0 O O7 1 0.50000000 0.50000000 0.00000000 1.0 O O8 1 0.67016800 0.83508400 0.33239100 1.0 O O9 1 0.16491600 0.32983200 0.33239100 1.0 O O10 1 0.16491600 0.83508400 0.33239100 1.0 O O11 1 0.32983200 0.16491600 0.66760900 1.0 O O12 1 0.83508400 0.67016800 0.66760900 1.0 O O13 1 0.83508400 0.16491600 0.66760900 1.0 O O14 1 0.00000000 0.50000000 0.00000000 1.0