# generated using pymatgen data_U3(PS4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.18009283 _cell_length_b 12.18009283 _cell_length_c 12.18009283 _cell_angle_alpha 126.52364913 _cell_angle_beta 126.52364913 _cell_angle_gamma 79.02917861 _symmetry_Int_Tables_number 1 _chemical_formula_structural U3(PS4)4 _chemical_formula_sum 'U6 P8 S32' _cell_volume 1128.71928493 _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 0.75000000 0.75000000 0.00000000 1.0 U U1 1 0.25000000 0.25000000 0.00000000 1.0 U U2 1 0.00000000 0.50000000 0.50000000 1.0 U U3 1 0.50000000 0.00000000 0.50000000 1.0 U U4 1 0.25000000 0.75000000 0.50000000 1.0 U U5 1 0.75000000 0.25000000 0.50000000 1.0 P P6 1 0.12744900 0.84096600 0.21766300 1.0 P P7 1 0.62744900 0.40978600 0.28648300 1.0 P P8 1 0.09021400 0.87255100 0.71351700 1.0 P P9 1 0.59021400 0.87669700 0.21766300 1.0 P P10 1 0.65903400 0.37255100 0.78233700 1.0 P P11 1 0.15903400 0.37669700 0.28648300 1.0 P P12 1 0.12330300 0.34096600 0.71351700 1.0 P P13 1 0.62330300 0.90978600 0.78233700 1.0 S S14 1 0.04247100 0.85826600 0.33121500 1.0 S S15 1 0.54247100 0.21125600 0.18420500 1.0 S S16 1 0.09769600 0.77454300 0.80528300 1.0 S S17 1 0.59769600 0.79241300 0.32315300 1.0 S S18 1 0.72545700 0.40230400 0.19471700 1.0 S S19 1 0.22545700 0.03074000 0.32315300 1.0 S S20 1 0.64173400 0.45752900 0.66878500 1.0 S S21 1 0.14173400 0.47294900 0.18420500 1.0 S S22 1 0.02705100 0.35826600 0.81579500 1.0 S S23 1 0.52705100 0.71125600 0.66878500 1.0 S S24 1 0.46926000 0.27454300 0.67684700 1.0 S S25 1 0.96926000 0.29241300 0.19471700 1.0 S S26 1 0.70758700 0.90230400 0.67684700 1.0 S S27 1 0.20758700 0.53074000 0.80528300 1.0 S S28 1 0.28874400 0.95752900 0.81579500 1.0 S S29 1 0.78874400 0.97294900 0.33121500 1.0 S S30 1 0.46184600 0.00956500 0.72010400 1.0 S S31 1 0.96184600 0.24174200 0.45228100 1.0 S S32 1 0.27774900 0.23940500 0.23575200 1.0 S S33 1 0.77774900 0.54199700 0.03834400 1.0 S S34 1 0.26059500 0.22225100 0.76424800 1.0 S S35 1 0.76059500 0.99634700 0.03834400 1.0 S S36 1 0.49043500 0.03815400 0.27989600 1.0 S S37 1 0.99043500 0.71053900 0.45228100 1.0 S S38 1 0.78946100 0.50956500 0.54771900 1.0 S S39 1 0.28946100 0.74174200 0.27989600 1.0 S S40 1 0.50365300 0.73940500 0.96165600 1.0 S S41 1 0.00365300 0.04199700 0.76424800 1.0 S S42 1 0.95800300 0.72225100 0.96165600 1.0 S S43 1 0.45800300 0.49634700 0.23575200 1.0 S S44 1 0.25825800 0.53815400 0.54771900 1.0 S S45 1 0.75825800 0.21053900 0.72010400 1.0