# generated using pymatgen data_V3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62939379 _cell_length_b 9.28968059 _cell_length_c 9.28968059 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3S _chemical_formula_sum 'V24 S8' _cell_volume 399.50819129 _cell_formula_units_Z 8 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 0.75000000 0.83960213 0.83960213 1.0 V V1 1 0.25000000 0.16039787 0.16039787 1.0 V V2 1 0.25000000 0.54691665 0.54691665 1.0 V V3 1 0.75000000 0.45308335 0.45308335 1.0 V V4 1 0.00000000 0.75000000 0.10236478 1.0 V V5 1 0.00000000 0.75000000 0.39763522 1.0 V V6 1 0.75000000 0.33960213 0.16039787 1.0 V V7 1 0.25000000 0.66039787 0.83960213 1.0 V V8 1 0.75000000 0.54691665 0.95308335 1.0 V V9 1 0.75000000 0.04691665 0.04691665 1.0 V V10 1 0.00000000 0.25000000 0.60236478 1.0 V V11 1 0.25000000 0.33960213 0.33960213 1.0 V V12 1 0.00000000 0.25000000 0.89763522 1.0 V V13 1 0.75000000 0.66039787 0.66039787 1.0 V V14 1 0.50000000 0.89763522 0.25000000 1.0 V V15 1 0.75000000 0.16039787 0.33960213 1.0 V V16 1 0.25000000 0.04691665 0.45308335 1.0 V V17 1 0.25000000 0.83960213 0.66039787 1.0 V V18 1 0.50000000 0.10236478 0.75000000 1.0 V V19 1 0.50000000 0.60236478 0.25000000 1.0 V V20 1 0.25000000 0.95308335 0.95308335 1.0 V V21 1 0.25000000 0.45308335 0.04691665 1.0 V V22 1 0.50000000 0.39763522 0.75000000 1.0 V V23 1 0.75000000 0.95308335 0.54691665 1.0 S S24 1 0.50000000 0.75000000 0.45904881 1.0 S S25 1 0.50000000 0.75000000 0.04095119 1.0 S S26 1 0.50000000 0.25000000 0.95904881 1.0 S S27 1 0.50000000 0.25000000 0.54095119 1.0 S S28 1 0.00000000 0.04095119 0.75000000 1.0 S S29 1 -0.00000000 0.95904881 0.25000000 1.0 S S30 1 -0.00000000 0.45904881 0.75000000 1.0 S S31 1 0.00000000 0.54095119 0.25000000 1.0