# generated using pymatgen data_Li4VS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15387100 _cell_length_b 7.75857300 _cell_length_c 14.24964000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4VS4 _chemical_formula_sum 'Li16 V4 S16' _cell_volume 680.35272946 _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 Li Li0 1 0.50000000 0.00000000 0.00000000 1.0 Li Li1 1 0.50000000 0.50000000 0.00000000 1.0 Li Li2 1 0.86955200 0.25000000 0.08684500 1.0 Li Li3 1 0.30444700 0.49819900 0.17787000 1.0 Li Li4 1 0.30444700 0.00180100 0.17787000 1.0 Li Li5 1 0.80444700 0.99819900 0.32213000 1.0 Li Li6 1 0.80444700 0.50180100 0.32213000 1.0 Li Li7 1 0.36955200 0.75000000 0.41315500 1.0 Li Li8 1 0.00000000 0.00000000 0.50000000 1.0 Li Li9 1 0.00000000 0.50000000 0.50000000 1.0 Li Li10 1 0.63044800 0.25000000 0.58684500 1.0 Li Li11 1 0.19555300 0.49819900 0.67787000 1.0 Li Li12 1 0.19555300 0.00180100 0.67787000 1.0 Li Li13 1 0.69555300 0.99819900 0.82213000 1.0 Li Li14 1 0.69555300 0.50180100 0.82213000 1.0 Li Li15 1 0.13044800 0.75000000 0.91315500 1.0 V V16 1 0.84891100 0.75000000 0.08709700 1.0 V V17 1 0.34891100 0.25000000 0.41290300 1.0 V V18 1 0.65108900 0.75000000 0.58709700 1.0 V V19 1 0.15108900 0.25000000 0.91290300 1.0 S S20 1 0.26557100 0.25000000 0.06235400 1.0 S S21 1 0.20899200 0.75000000 0.08241900 1.0 S S22 1 0.71847400 0.51414300 0.15594200 1.0 S S23 1 0.71847400 0.98585700 0.15594200 1.0 S S24 1 0.21847400 0.01414300 0.34405800 1.0 S S25 1 0.21847400 0.48585700 0.34405800 1.0 S S26 1 0.70899200 0.25000000 0.41758100 1.0 S S27 1 0.76557100 0.75000000 0.43764600 1.0 S S28 1 0.23442900 0.25000000 0.56235400 1.0 S S29 1 0.29100800 0.75000000 0.58241900 1.0 S S30 1 0.78152600 0.51414300 0.65594200 1.0 S S31 1 0.78152600 0.98585700 0.65594200 1.0 S S32 1 0.28152600 0.01414300 0.84405800 1.0 S S33 1 0.28152600 0.48585700 0.84405800 1.0 S S34 1 0.79100800 0.25000000 0.91758100 1.0 S S35 1 0.73442900 0.75000000 0.93764600 1.0