# generated using pymatgen data_U(PS3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.61097381 _cell_length_b 10.61097381 _cell_length_c 10.61097381 _cell_angle_alpha 102.56131083 _cell_angle_beta 102.56131083 _cell_angle_gamma 124.40448562 _symmetry_Int_Tables_number 1 _chemical_formula_structural U(PS3)4 _chemical_formula_sum 'U2 P8 S24' _cell_volume 871.97231058 _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 U U0 1 0.25000000 0.75000000 0.50000000 1.0 U U1 1 0.00000000 0.00000000 0.00000000 1.0 P P2 1 0.17847000 0.50119600 0.69033000 1.0 P P3 1 0.81086500 0.48813900 0.30967000 1.0 P P4 1 0.75119600 0.56086500 0.82272600 1.0 P P5 1 0.73813900 0.92847000 0.17727400 1.0 P P6 1 0.07153000 0.24880400 0.80967000 1.0 P P7 1 0.43913500 0.26186100 0.19033000 1.0 P P8 1 0.49880400 0.18913500 0.67727400 1.0 P P9 1 0.51186100 0.82153000 0.32272600 1.0 S S10 1 0.76367200 0.36881600 0.73412100 1.0 S S11 1 0.63469600 0.02955100 0.26587900 1.0 S S12 1 0.61881600 0.38469600 0.10514400 1.0 S S13 1 0.27955100 0.51367200 0.89485600 1.0 S S14 1 0.48632800 0.38118400 0.76587900 1.0 S S15 1 0.61530400 0.72044900 0.23412100 1.0 S S16 1 0.63118400 0.36530400 0.39485600 1.0 S S17 1 0.97044900 0.23632800 0.60514400 1.0 S S18 1 0.11260000 0.64574500 0.69846900 1.0 S S19 1 0.94727600 0.41413000 0.30153100 1.0 S S20 1 0.89574500 0.69727600 0.03314600 1.0 S S21 1 0.66413000 0.86260000 0.96685400 1.0 S S22 1 0.13740000 0.10425500 0.80153100 1.0 S S23 1 0.30272400 0.33587000 0.19846900 1.0 S S24 1 0.35425500 0.05272400 0.46685400 1.0 S S25 1 0.58587000 0.88740000 0.53314600 1.0 S S26 1 0.80814500 0.72145300 0.73045000 1.0 S S27 1 0.99100300 0.07769500 0.26955000 1.0 S S28 1 0.97145300 0.74100300 0.41330800 1.0 S S29 1 0.32769500 0.55814500 0.58669200 1.0 S S30 1 0.44185500 0.02854700 0.76955000 1.0 S S31 1 0.25899700 0.67230500 0.23045000 1.0 S S32 1 0.27854700 0.00899700 0.08669200 1.0 S S33 1 0.92230500 0.19185500 0.91330800 1.0