# generated using pymatgen data_Lu3Sc2SiPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99747032 _cell_length_b 8.99746941 _cell_length_c 6.20889794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000697 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Sc2SiPb3 _chemical_formula_sum 'Lu6 Sc4 Si2 Pb6' _cell_volume 435.29725038 _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 Lu Lu0 1 0.25133015 1.00000000 0.25000000 1.0 Lu Lu1 1 0.74866985 0.00000000 0.75000000 1.0 Lu Lu2 1 1.00000000 0.25133015 0.25000000 1.0 Lu Lu3 1 0.00000000 0.74866985 0.75000000 1.0 Lu Lu4 1 0.25133015 0.25133015 0.75000000 1.0 Lu Lu5 1 0.74866985 0.74866985 0.25000000 1.0 Sc Sc6 1 0.33333300 0.66666700 0.50000000 1.0 Sc Sc7 1 0.66666700 0.33333300 0.50000000 1.0 Sc Sc8 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc9 1 0.33333300 0.66666700 0.00000000 1.0 Si Si10 1 0.00000000 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.00000000 0.50000000 1.0 Pb Pb12 1 0.39596755 1.00000000 0.75000000 1.0 Pb Pb13 1 1.00000000 0.39596755 0.75000000 1.0 Pb Pb14 1 0.39596755 0.39596755 0.25000000 1.0 Pb Pb15 1 0.60403245 0.00000000 0.25000000 1.0 Pb Pb16 1 0.00000000 0.60403245 0.25000000 1.0 Pb Pb17 1 0.60403245 0.60403245 0.75000000 1.0