# generated using pymatgen data_Sc6Pb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25546423 _cell_length_b 8.96131802 _cell_length_c 11.11625136 _cell_angle_alpha 113.77041359 _cell_angle_beta 106.34173601 _cell_angle_gamma 89.99999933 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Pb5 _chemical_formula_sum 'Sc12 Pb10' _cell_volume 542.66163112 _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 Sc Sc0 1 0.44499020 0.69499020 0.38998039 1.0 Sc Sc1 1 0.64217092 0.03036604 0.28434283 1.0 Sc Sc2 1 0.94015873 0.20593260 0.88031846 1.0 Sc Sc3 1 0.14217192 0.25397679 0.28434283 1.0 Sc Sc4 1 0.85782908 0.74602321 0.71565717 1.0 Sc Sc5 1 0.55984127 0.32561514 0.11968154 1.0 Sc Sc6 1 0.44015873 0.67438486 0.88031846 1.0 Sc Sc7 1 0.55500980 0.30500980 0.61001961 1.0 Sc Sc8 1 0.05984127 0.79406740 0.11968154 1.0 Sc Sc9 1 0.05500980 0.30500980 0.61001961 1.0 Sc Sc10 1 0.35782908 0.96963396 0.71565717 1.0 Sc Sc11 1 0.94499020 0.69499020 0.38998039 1.0 Pb Pb12 1 0.57548510 0.67635791 0.15097020 1.0 Pb Pb13 1 0.79350934 0.98937585 0.58702067 1.0 Pb Pb14 1 0.07548510 0.47461229 0.15097020 1.0 Pb Pb15 1 0.25000000 0.00000000 -0.00000000 1.0 Pb Pb16 1 0.29350934 0.59764382 0.58702067 1.0 Pb Pb17 1 0.42451490 0.32364209 0.84902980 1.0 Pb Pb18 1 0.70649066 0.40235618 0.41297933 1.0 Pb Pb19 1 0.20649066 0.01062415 0.41297933 1.0 Pb Pb20 1 0.92451490 0.52538771 0.84902980 1.0 Pb Pb21 1 0.75000000 0.00000000 -0.00000000 1.0