# generated using pymatgen data_Nb6Zn2Cu4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04953944 _cell_length_b 8.04954092 _cell_length_c 8.04953975 _cell_angle_alpha 60.00000079 _cell_angle_beta 59.99999473 _cell_angle_gamma 60.00000255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Zn2Cu4N _chemical_formula_sum 'Nb12 Zn4 Cu8 N2' _cell_volume 368.80618041 _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 Nb Nb0 1 0.19209896 0.80790104 0.19209896 1.0 Nb Nb1 1 0.44209896 0.05790104 0.44209896 1.0 Nb Nb2 1 0.44209896 0.05790104 0.05790104 1.0 Nb Nb3 1 0.44209896 0.44209896 0.05790104 1.0 Nb Nb4 1 0.19209896 0.80790104 0.80790104 1.0 Nb Nb5 1 0.05790104 0.44209896 0.05790104 1.0 Nb Nb6 1 0.80790104 0.80790104 0.19209896 1.0 Nb Nb7 1 0.05790104 0.44209896 0.44209896 1.0 Nb Nb8 1 0.19209896 0.19209896 0.80790104 1.0 Nb Nb9 1 0.80790104 0.19209896 0.19209896 1.0 Nb Nb10 1 0.80790104 0.19209896 0.80790104 1.0 Nb Nb11 1 0.05790104 0.05790104 0.44209896 1.0 Zn Zn12 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn13 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn14 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn15 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu16 1 0.83110882 0.50667355 0.83110882 1.0 Cu Cu17 1 0.41889118 0.41889118 0.74332645 1.0 Cu Cu18 1 0.74332645 0.41889118 0.41889118 1.0 Cu Cu19 1 0.41889118 0.41889118 0.41889118 1.0 Cu Cu20 1 0.83110882 0.83110882 0.50667355 1.0 Cu Cu21 1 0.41889118 0.74332645 0.41889118 1.0 Cu Cu22 1 0.83110882 0.83110882 0.83110882 1.0 Cu Cu23 1 0.50667355 0.83110882 0.83110882 1.0 N N24 1 0.00000000 0.00000000 0.00000000 1.0 N N25 1 0.25000000 0.25000000 0.25000000 1.0