# generated using pymatgen data_VAuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22409121 _cell_length_b 3.22409076 _cell_length_c 15.02322989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998260 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAuS2 _chemical_formula_sum 'V2 Au2 S4' _cell_volume 135.24107052 _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 V V0 1 0.33333300 0.66666700 0.25000000 1.0 V V1 1 0.66666700 0.33333300 0.75000000 1.0 Au Au2 1 0.00000000 0.00000000 -0.00000000 1.0 Au Au3 1 0.00000000 0.00000000 0.50000000 1.0 S S4 1 0.00000000 0.00000000 0.34475742 1.0 S S5 1 0.00000000 0.00000000 0.84475742 1.0 S S6 1 0.00000000 0.00000000 0.15524258 1.0 S S7 1 0.00000000 0.00000000 0.65524258 1.0