# generated using pymatgen data_LaVS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83711500 _cell_length_b 7.80645400 _cell_length_c 13.23313800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVS3 _chemical_formula_sum 'La4 V4 S12' _cell_volume 396.38887930 _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 La La0 1 0.25000000 0.92218900 0.16828600 1.0 La La1 1 0.75000000 0.07781100 0.83171400 1.0 La La2 1 0.75000000 0.57781100 0.66828600 1.0 La La3 1 0.25000000 0.42218900 0.33171400 1.0 V V4 1 0.25000000 0.64073700 0.95357200 1.0 V V5 1 0.75000000 0.35926300 0.04642800 1.0 V V6 1 0.75000000 0.85926300 0.45357200 1.0 V V7 1 0.25000000 0.14073700 0.54642800 1.0 S S8 1 0.25000000 0.52190700 0.11283200 1.0 S S9 1 0.75000000 0.47809300 0.88716800 1.0 S S10 1 0.75000000 0.97809300 0.61283200 1.0 S S11 1 0.25000000 0.02190700 0.38716800 1.0 S S12 1 0.25000000 0.66989300 0.50477700 1.0 S S13 1 0.75000000 0.33010700 0.49522300 1.0 S S14 1 0.75000000 0.83010700 0.00477700 1.0 S S15 1 0.25000000 0.16989300 0.99522300 1.0 S S16 1 0.25000000 0.79387500 0.78942400 1.0 S S17 1 0.75000000 0.20612500 0.21057600 1.0 S S18 1 0.75000000 0.70612500 0.28942400 1.0 S S19 1 0.25000000 0.29387500 0.71057600 1.0