# generated using pymatgen data_BiTe2Pb2AuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18142500 _cell_length_b 9.66654700 _cell_length_c 12.29890200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiTe2Pb2AuS3 _chemical_formula_sum 'Bi2 Te4 Pb4 Au2 S6' _cell_volume 497.12089677 _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 Bi Bi0 1 0.25000000 0.33525900 0.42151400 1.0 Bi Bi1 1 0.75000000 0.66474100 0.92151400 1.0 Te Te2 1 0.75000000 0.99162900 0.39453300 1.0 Te Te3 1 0.75000000 0.99153100 0.10447500 1.0 Te Te4 1 0.25000000 0.00846900 0.60447500 1.0 Te Te5 1 0.25000000 0.00837100 0.89453300 1.0 Pb Pb6 1 0.25000000 0.31923400 0.07860500 1.0 Pb Pb7 1 0.75000000 0.68076600 0.57860500 1.0 Pb Pb8 1 0.75000000 0.65425400 0.25056600 1.0 Pb Pb9 1 0.25000000 0.34574600 0.75056600 1.0 Au Au10 1 0.25000000 0.99678400 0.24967000 1.0 Au Au11 1 0.75000000 0.00321600 0.74967000 1.0 S S12 1 0.75000000 0.36400900 0.25960600 1.0 S S13 1 0.25000000 0.63599100 0.75960600 1.0 S S14 1 0.75000000 0.38297900 0.57498600 1.0 S S15 1 0.75000000 0.38988400 0.91604500 1.0 S S16 1 0.25000000 0.61011600 0.41604500 1.0 S S17 1 0.25000000 0.61702100 0.07498600 1.0