# generated using pymatgen data_AlV3CuN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51224196 _cell_length_b 6.51224196 _cell_length_c 6.51224196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV3CuN _chemical_formula_sum 'Al4 V12 Cu4 N4' _cell_volume 276.17959301 _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 Al Al0 1 0.57489538 0.42510462 0.92510462 1.0 Al Al1 1 0.42510462 0.92510462 0.57489538 1.0 Al Al2 1 0.92510462 0.57489538 0.42510462 1.0 Al Al3 1 0.07489538 0.07489538 0.07489538 1.0 V V4 1 0.78800513 0.96153012 0.37362495 1.0 V V5 1 0.71199487 0.03846988 0.87362495 1.0 V V6 1 0.21199487 0.46153012 0.12637505 1.0 V V7 1 0.28800513 0.53846988 0.62637505 1.0 V V8 1 0.96153012 0.37362495 0.78800513 1.0 V V9 1 0.03846988 0.87362495 0.71199487 1.0 V V10 1 0.46153012 0.12637505 0.21199487 1.0 V V11 1 0.53846988 0.62637505 0.28800513 1.0 V V12 1 0.37362495 0.78800513 0.96153012 1.0 V V13 1 0.87362495 0.71199487 0.03846988 1.0 V V14 1 0.12637505 0.21199487 0.46153012 1.0 V V15 1 0.62637505 0.28800513 0.53846988 1.0 Cu Cu16 1 0.17684845 0.82315155 0.32315155 1.0 Cu Cu17 1 0.32315155 0.17684845 0.82315155 1.0 Cu Cu18 1 0.82315155 0.32315155 0.17684845 1.0 Cu Cu19 1 0.67684845 0.67684845 0.67684845 1.0 N N20 1 0.87751823 0.12248177 0.62248177 1.0 N N21 1 0.62248177 0.87751823 0.12248177 1.0 N N22 1 0.12248177 0.62248177 0.87751823 1.0 N N23 1 0.37751823 0.37751823 0.37751823 1.0