# generated using pymatgen data_Nb3ZnGaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02066313 _cell_length_b 7.02066313 _cell_length_c 7.02066313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3ZnGaN _chemical_formula_sum 'Nb12 Zn4 Ga4 N4' _cell_volume 346.04645532 _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 0.79374340 0.95638622 0.37454970 1.0 Nb Nb1 1 0.70625660 0.04361378 0.87454970 1.0 Nb Nb2 1 0.20625660 0.45638622 0.12545030 1.0 Nb Nb3 1 0.29374340 0.54361378 0.62545030 1.0 Nb Nb4 1 0.95638622 0.37454970 0.79374340 1.0 Nb Nb5 1 0.04361378 0.87454970 0.70625660 1.0 Nb Nb6 1 0.45638622 0.12545030 0.20625660 1.0 Nb Nb7 1 0.54361378 0.62545030 0.29374340 1.0 Nb Nb8 1 0.37454970 0.79374340 0.95638622 1.0 Nb Nb9 1 0.87454970 0.70625660 0.04361378 1.0 Nb Nb10 1 0.12545030 0.20625660 0.45638622 1.0 Nb Nb11 1 0.62545030 0.29374340 0.54361378 1.0 Zn Zn12 1 0.17991611 0.82008389 0.32008389 1.0 Zn Zn13 1 0.32008389 0.17991611 0.82008389 1.0 Zn Zn14 1 0.82008389 0.32008389 0.17991611 1.0 Zn Zn15 1 0.67991611 0.67991611 0.67991611 1.0 Ga Ga16 1 0.57232155 0.42767845 0.92767845 1.0 Ga Ga17 1 0.42767845 0.92767845 0.57232155 1.0 Ga Ga18 1 0.92767845 0.57232155 0.42767845 1.0 Ga Ga19 1 0.07232155 0.07232155 0.07232155 1.0 N N20 1 0.87573433 0.12426567 0.62426567 1.0 N N21 1 0.62426567 0.87573433 0.12426567 1.0 N N22 1 0.12426567 0.62426567 0.87573433 1.0 N N23 1 0.37573433 0.37573433 0.37573433 1.0