# generated using pymatgen data_V3SiIrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53096948 _cell_length_b 6.53096948 _cell_length_c 6.53096948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3SiIrN _chemical_formula_sum 'V12 Si4 Ir4 N4' _cell_volume 278.56911401 _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 V V0 1 0.78654643 0.95679198 0.38443869 1.0 V V1 1 0.71345357 0.04320802 0.88443869 1.0 V V2 1 0.21345357 0.45679198 0.11556131 1.0 V V3 1 0.28654643 0.54320802 0.61556131 1.0 V V4 1 0.95679198 0.38443869 0.78654643 1.0 V V5 1 0.04320802 0.88443869 0.71345357 1.0 V V6 1 0.45679198 0.11556131 0.21345357 1.0 V V7 1 0.54320802 0.61556131 0.28654643 1.0 V V8 1 0.38443869 0.78654643 0.95679198 1.0 V V9 1 0.88443869 0.71345357 0.04320802 1.0 V V10 1 0.11556131 0.21345357 0.45679198 1.0 V V11 1 0.61556131 0.28654643 0.54320802 1.0 Si Si12 1 0.57122067 0.42877933 0.92877933 1.0 Si Si13 1 0.42877933 0.92877933 0.57122067 1.0 Si Si14 1 0.92877933 0.57122067 0.42877933 1.0 Si Si15 1 0.07122067 0.07122067 0.07122067 1.0 Ir Ir16 1 0.17528819 0.82471181 0.32471181 1.0 Ir Ir17 1 0.32471181 0.17528819 0.82471181 1.0 Ir Ir18 1 0.82471181 0.32471181 0.17528819 1.0 Ir Ir19 1 0.67528819 0.67528819 0.67528819 1.0 N N20 1 0.87093051 0.12906949 0.62906949 1.0 N N21 1 0.62906949 0.87093051 0.12906949 1.0 N N22 1 0.12906949 0.62906949 0.87093051 1.0 N N23 1 0.37093051 0.37093051 0.37093051 1.0