# generated using pymatgen data_Cu2Bi5Pb5S14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05678500 _cell_length_b 15.00714000 _cell_length_c 21.27154200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Bi5Pb5S14 _chemical_formula_sum 'Cu4 Bi10 Pb10 S28' _cell_volume 1295.02722736 _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 Cu Cu0 1 0.25000000 0.82775100 0.67510000 1.0 Cu Cu1 1 0.25000000 0.67224900 0.17510000 1.0 Cu Cu2 1 0.75000000 0.17219500 0.32429600 1.0 Cu Cu3 1 0.75000000 0.32780500 0.82429600 1.0 Bi Bi4 1 0.25000000 0.89620700 0.97204200 1.0 Bi Bi5 1 0.25000000 0.60379300 0.47204200 1.0 Bi Bi6 1 0.75000000 0.10768000 0.03242800 1.0 Bi Bi7 1 0.75000000 0.39232000 0.53242800 1.0 Bi Bi8 1 0.25000000 0.53454600 0.84122900 1.0 Bi Bi9 1 0.25000000 0.96545400 0.34122900 1.0 Bi Bi10 1 0.75000000 0.46595100 0.15794500 1.0 Bi Bi11 1 0.75000000 0.03404900 0.65794500 1.0 Bi Bi12 1 0.75000000 0.66172800 0.30784600 1.0 Bi Bi13 1 0.75000000 0.83827200 0.80784600 1.0 Pb Pb14 1 0.25000000 0.86465900 0.51931300 1.0 Pb Pb15 1 0.25000000 0.63534100 0.01931300 1.0 Pb Pb16 1 0.75000000 0.14054500 0.47893000 1.0 Pb Pb17 1 0.75000000 0.35945500 0.97893000 1.0 Pb Pb18 1 0.25000000 0.10753900 0.83531000 1.0 Pb Pb19 1 0.25000000 0.39246100 0.33531000 1.0 Pb Pb20 1 0.75000000 0.89453600 0.16501700 1.0 Pb Pb21 1 0.75000000 0.60546400 0.66501700 1.0 Pb Pb22 1 0.25000000 0.33160400 0.69226800 1.0 Pb Pb23 1 0.25000000 0.16839600 0.19226800 1.0 S S24 1 0.25000000 0.96163200 0.74266800 1.0 S S25 1 0.25000000 0.53836800 0.24266800 1.0 S S26 1 0.75000000 0.03222700 0.26160400 1.0 S S27 1 0.75000000 0.46777300 0.76160400 1.0 S S28 1 0.25000000 0.76964400 0.88294800 1.0 S S29 1 0.25000000 0.73035600 0.38294800 1.0 S S30 1 0.75000000 0.23754300 0.11258500 1.0 S S31 1 0.75000000 0.26245700 0.61258500 1.0 S S32 1 0.25000000 0.04567800 0.56821900 1.0 S S33 1 0.25000000 0.45432200 0.06821900 1.0 S S34 1 0.75000000 0.95327500 0.43528600 1.0 S S35 1 0.75000000 0.54672500 0.93528600 1.0 S S36 1 0.25000000 0.18880200 0.96559200 1.0 S S37 1 0.25000000 0.31119800 0.46559200 1.0 S S38 1 0.75000000 0.80920000 0.03187200 1.0 S S39 1 0.75000000 0.69080000 0.53187200 1.0 S S40 1 0.25000000 0.36409400 0.87276700 1.0 S S41 1 0.25000000 0.13590600 0.37276700 1.0 S S42 1 0.75000000 0.63579900 0.12772800 1.0 S S43 1 0.75000000 0.86420100 0.62772800 1.0 S S44 1 0.25000000 0.48317800 0.60503200 1.0 S S45 1 0.25000000 0.01682200 0.10503200 1.0 S S46 1 0.75000000 0.52571300 0.39016000 1.0 S S47 1 0.75000000 0.97428700 0.89016000 1.0 S S48 1 0.25000000 0.70117500 0.73248200 1.0 S S49 1 0.25000000 0.79882500 0.23248200 1.0 S S50 1 0.75000000 0.30121500 0.26933200 1.0 S S51 1 0.75000000 0.19878500 0.76933200 1.0