# generated using pymatgen data_Zr9Nb4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79924101 _cell_length_b 8.79924196 _cell_length_c 8.59678712 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999427 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Nb4O3 _chemical_formula_sum 'Zr18 Nb8 O6' _cell_volume 576.44423799 _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 Zr Zr0 1 0.45359880 0.90719748 0.25000000 1.0 Zr Zr1 1 0.54640120 0.09280252 0.75000000 1.0 Zr Zr2 1 0.09280270 0.54640140 0.25000000 1.0 Zr Zr3 1 0.90719730 0.45359860 0.75000000 1.0 Zr Zr4 1 0.45359877 0.54640143 0.25000000 1.0 Zr Zr5 1 0.54640123 0.45359857 0.75000000 1.0 Zr Zr6 1 0.20852481 0.41704972 0.56180545 1.0 Zr Zr7 1 0.79147519 0.58295028 0.43819455 1.0 Zr Zr8 1 0.58295047 0.79147545 0.56180536 1.0 Zr Zr9 1 0.79147519 0.58295028 0.06180545 1.0 Zr Zr10 1 0.41704953 0.20852455 0.43819464 1.0 Zr Zr11 1 0.20852481 0.41704972 0.93819455 1.0 Zr Zr12 1 0.20852488 0.79147539 0.56180533 1.0 Zr Zr13 1 0.41704953 0.20852455 0.06180536 1.0 Zr Zr14 1 0.79147512 0.20852461 0.43819467 1.0 Zr Zr15 1 0.58295047 0.79147545 0.93819464 1.0 Zr Zr16 1 0.79147512 0.20852461 0.06180533 1.0 Zr Zr17 1 0.20852488 0.79147539 0.93819467 1.0 Nb Nb18 1 0.11148797 0.22297545 0.25000000 1.0 Nb Nb19 1 0.88851203 0.77702455 0.75000000 1.0 Nb Nb20 1 0.77702516 0.88851227 0.25000000 1.0 Nb Nb21 1 0.22297484 0.11148773 0.75000000 1.0 Nb Nb22 1 0.11148770 0.88851226 0.25000000 1.0 Nb Nb23 1 0.88851230 0.11148774 0.75000000 1.0 Nb Nb24 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb25 1 0.00000000 0.00000000 0.50000000 1.0 O O26 1 0.50000000 0.00000000 0.00000000 1.0 O O27 1 0.00000000 0.50000000 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.50000000 0.50000000 0.00000000 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.50000000 1.0