# generated using pymatgen data_Sc2Pa6Bi9Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.58064562 _cell_length_b 9.58064538 _cell_length_c 6.39516880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999732 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Pa6Bi9Pb _chemical_formula_sum 'Sc2 Pa6 Bi9 Pb1' _cell_volume 508.36096702 _cell_formula_units_Z 1 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 Sc Sc0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa2 1 0.00299056 0.61077224 0.25134237 1.0 Pa Pa3 1 0.38922776 0.39221732 0.25134237 1.0 Pa Pa4 1 0.38922776 0.99700944 0.74865763 1.0 Pa Pa5 1 0.60778268 0.61077224 0.74865763 1.0 Pa Pa6 1 0.60778268 0.99700944 0.25134237 1.0 Pa Pa7 1 0.00299056 0.39221732 0.74865763 1.0 Bi Bi8 1 0.99921923 0.26661691 0.25007195 1.0 Bi Bi9 1 0.66666700 0.33333300 0.00000000 1.0 Bi Bi10 1 0.33333300 0.66666700 0.00000000 1.0 Bi Bi11 1 0.26739768 0.26661691 0.74992805 1.0 Bi Bi12 1 0.73338309 0.00078077 0.74992805 1.0 Bi Bi13 1 0.99921923 0.73260232 0.74992805 1.0 Bi Bi14 1 0.73338309 0.73260232 0.25007195 1.0 Bi Bi15 1 0.26739768 0.00078077 0.25007195 1.0 Bi Bi16 1 0.66666700 0.33333300 0.50000000 1.0 Pb Pb17 1 0.33333300 0.66666700 0.50000000 1.0