# generated using pymatgen data_V3(PS3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97318861 _cell_length_b 5.97318861 _cell_length_c 13.41201648 _cell_angle_alpha 85.82045301 _cell_angle_beta 85.82045301 _cell_angle_gamma 120.43955132 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3(PS3)4 _chemical_formula_sum 'V3 P4 S12' _cell_volume 408.10286702 _cell_formula_units_Z 1 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 0.82942200 0.17057800 0.50000000 1.0 V V1 1 0.67673500 0.32326500 0.00000000 1.0 V V2 1 0.17066300 0.82933700 0.50000000 1.0 P P3 1 0.97045800 0.97153300 0.08190400 1.0 P P4 1 0.47194400 0.47180900 0.58207300 1.0 P P5 1 0.52819100 0.52805600 0.41792700 1.0 P P6 1 0.02846700 0.02954200 0.91809600 1.0 S S7 1 0.31100500 0.00492400 0.12000300 1.0 S S8 1 0.80015500 0.46089900 0.61722700 1.0 S S9 1 0.92214100 0.27261300 0.12053500 1.0 S S10 1 0.46114100 0.79961300 0.61779600 1.0 S S11 1 0.20038700 0.53885900 0.38220400 1.0 S S12 1 0.72738700 0.07785900 0.87946500 1.0 S S13 1 0.53910100 0.19984500 0.38277300 1.0 S S14 1 0.99507600 0.68899500 0.87999700 1.0 S S15 1 0.64715400 0.61239500 0.12058800 1.0 S S16 1 0.11879900 0.11863000 0.61508800 1.0 S S17 1 0.88137000 0.88120100 0.38491200 1.0 S S18 1 0.38760500 0.35284600 0.87941200 1.0