# generated using pymatgen data_Sb4Pb4S11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95029700 _cell_length_b 15.65856400 _cell_length_c 15.86992200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb4Pb4S11 _chemical_formula_sum 'Sb8 Pb8 S22' _cell_volume 981.64955234 _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 Sb Sb0 1 0.50000000 0.86732800 0.48649100 1.0 Sb Sb1 1 0.50000000 0.00380500 0.27303800 1.0 Sb Sb2 1 0.50000000 0.99619500 0.72696200 1.0 Sb Sb3 1 0.50000000 0.63267200 0.98649100 1.0 Sb Sb4 1 0.50000000 0.49619500 0.77303800 1.0 Sb Sb5 1 0.50000000 0.50380500 0.22696200 1.0 Sb Sb6 1 0.50000000 0.13267200 0.51350900 1.0 Sb Sb7 1 0.50000000 0.36732800 0.01350900 1.0 Pb Pb8 1 0.00000000 0.26218600 0.81648000 1.0 Pb Pb9 1 0.00000000 0.73781400 0.18352000 1.0 Pb Pb10 1 0.00000000 0.23781400 0.31648000 1.0 Pb Pb11 1 0.00000000 0.88524200 0.93524000 1.0 Pb Pb12 1 0.00000000 0.61475800 0.43524000 1.0 Pb Pb13 1 0.00000000 0.38524200 0.56476000 1.0 Pb Pb14 1 0.00000000 0.11475800 0.06476000 1.0 Pb Pb15 1 0.00000000 0.76218600 0.68352000 1.0 S S16 1 0.00000000 0.45460800 0.32376900 1.0 S S17 1 0.00000000 0.42590600 0.89560500 1.0 S S18 1 0.00000000 0.07409400 0.39560500 1.0 S S19 1 0.50000000 0.35322400 0.70752600 1.0 S S20 1 0.50000000 0.14677600 0.20752600 1.0 S S21 1 0.00000000 0.57409400 0.10439500 1.0 S S22 1 0.50000000 0.85322400 0.79247400 1.0 S S23 1 0.50000000 0.27466100 0.44813700 1.0 S S24 1 0.00000000 0.33037400 0.11499200 1.0 S S25 1 0.00000000 0.66962600 0.88500800 1.0 S S26 1 0.50000000 0.77466100 0.05186300 1.0 S S27 1 0.00000000 0.54539200 0.67623100 1.0 S S28 1 0.50000000 0.50000000 0.50000000 1.0 S S29 1 0.50000000 0.72533900 0.55186300 1.0 S S30 1 0.50000000 0.22533900 0.94813700 1.0 S S31 1 0.50000000 0.64677600 0.29247400 1.0 S S32 1 0.00000000 0.83037400 0.38500800 1.0 S S33 1 0.00000000 0.04539200 0.82376900 1.0 S S34 1 0.00000000 0.16962600 0.61499200 1.0 S S35 1 0.50000000 0.00000000 0.00000000 1.0 S S36 1 0.00000000 0.95460800 0.17623100 1.0 S S37 1 0.00000000 0.92590600 0.60439500 1.0