# generated using pymatgen data_Nb2ZnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05574439 _cell_length_b 5.76456888 _cell_length_c 14.28526660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ZnO6 _chemical_formula_sum 'Nb8 Zn4 O24' _cell_volume 416.33247793 _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 Nb Nb0 1 0.74817366 0.68470984 0.65947081 1.0 Nb Nb1 1 0.24817366 0.81529016 0.84052919 1.0 Nb Nb2 1 0.75182634 0.68470984 0.34052919 1.0 Nb Nb3 1 0.25182634 0.81529016 0.15947081 1.0 Nb Nb4 1 0.74817366 0.18470984 0.84052919 1.0 Nb Nb5 1 0.24817366 0.31529016 0.65947081 1.0 Nb Nb6 1 0.75182634 0.18470984 0.15947081 1.0 Nb Nb7 1 0.25182634 0.31529016 0.34052919 1.0 Zn Zn8 1 0.75000000 0.67032413 -0.00000000 1.0 Zn Zn9 1 0.25000000 0.82967587 0.50000000 1.0 Zn Zn10 1 0.25000000 0.32967587 -0.00000000 1.0 Zn Zn11 1 0.75000000 0.17032413 0.50000000 1.0 O O12 1 0.92034368 0.37802033 0.74433692 1.0 O O13 1 0.42034368 0.12197967 0.75566308 1.0 O O14 1 0.57965632 0.37802033 0.25566308 1.0 O O15 1 0.07965632 0.12197967 0.24433692 1.0 O O16 1 0.07965632 0.62197967 0.25566308 1.0 O O17 1 0.57965632 0.87802033 0.24433692 1.0 O O18 1 0.42034368 0.62197967 0.74433692 1.0 O O19 1 0.92034368 0.87802033 0.75566308 1.0 O O20 1 0.91478382 0.38562102 0.07889633 1.0 O O21 1 0.41478382 0.11437898 0.42110367 1.0 O O22 1 0.58521618 0.38562102 0.92110367 1.0 O O23 1 0.08521618 0.11437898 0.57889633 1.0 O O24 1 0.92618566 0.89483235 0.09492969 1.0 O O25 1 0.42618566 0.60516765 0.40507031 1.0 O O26 1 0.57381434 0.89483235 0.90507031 1.0 O O27 1 0.07381434 0.60516765 0.59492969 1.0 O O28 1 0.07381434 0.10516765 0.90507031 1.0 O O29 1 0.57381434 0.39483235 0.59492969 1.0 O O30 1 0.42618566 0.10516765 0.09492969 1.0 O O31 1 0.92618566 0.39483235 0.40507031 1.0 O O32 1 0.91478382 0.88562102 0.42110367 1.0 O O33 1 0.41478382 0.61437898 0.07889633 1.0 O O34 1 0.58521618 0.88562102 0.57889633 1.0 O O35 1 0.08521618 0.61437898 0.92110367 1.0