# generated using pymatgen data_YbNb2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07634228 _cell_length_b 5.86195997 _cell_length_c 11.66676607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbNb2O4 _chemical_formula_sum 'Yb4 Nb8 O16' _cell_volume 347.17163543 _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 Yb Yb0 1 0.68497800 0.25000000 0.49550434 1.0 Yb Yb1 1 0.68497800 0.75000000 0.00449566 1.0 Yb Yb2 1 0.31502200 0.75000000 0.50449566 1.0 Yb Yb3 1 0.31502200 0.25000000 0.99550434 1.0 Nb Nb4 1 0.84433378 0.00000000 0.25000000 1.0 Nb Nb5 1 0.15566622 0.50000000 0.75000000 1.0 Nb Nb6 1 0.15566622 0.00000000 0.75000000 1.0 Nb Nb7 1 0.84433378 0.50000000 0.25000000 1.0 Nb Nb8 1 0.65927161 0.75000000 0.74578716 1.0 Nb Nb9 1 0.65927161 0.25000000 0.75421284 1.0 Nb Nb10 1 0.34072839 0.25000000 0.25421284 1.0 Nb Nb11 1 0.34072839 0.75000000 0.24578716 1.0 O O12 1 0.98398575 0.75000000 0.86000575 1.0 O O13 1 0.98398575 0.25000000 0.63999425 1.0 O O14 1 0.01601425 0.25000000 0.13999425 1.0 O O15 1 0.01601425 0.75000000 0.36000575 1.0 O O16 1 0.99516381 0.75000000 0.63624693 1.0 O O17 1 0.99516381 0.25000000 0.86375307 1.0 O O18 1 0.00483619 0.25000000 0.36375307 1.0 O O19 1 0.00483619 0.75000000 0.13624693 1.0 O O20 1 0.50766627 0.99490254 0.36623630 1.0 O O21 1 0.50766627 0.00509746 0.13376370 1.0 O O22 1 0.49233373 0.49490254 0.63376370 1.0 O O23 1 0.49233373 0.50509746 0.86623630 1.0 O O24 1 0.50766627 0.49490254 0.13376370 1.0 O O25 1 0.50766627 0.50509746 0.36623630 1.0 O O26 1 0.49233373 0.99490254 0.86623630 1.0 O O27 1 0.49233373 0.00509746 0.63376370 1.0