# generated using pymatgen data_LiSc6Zn22Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72409913 _cell_length_b 8.72409926 _cell_length_c 8.72409934 _cell_angle_alpha 60.00000338 _cell_angle_beta 60.00000288 _cell_angle_gamma 59.99999816 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc6Zn22Si _chemical_formula_sum 'Li1 Sc6 Zn22 Si1' _cell_volume 469.51212072 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.71089415 0.28910585 0.28910585 1.0 Sc Sc2 1 0.28910585 0.71089415 0.71089415 1.0 Sc Sc3 1 0.28910585 0.71089415 0.28910585 1.0 Sc Sc4 1 0.71089415 0.28910585 0.71089415 1.0 Sc Sc5 1 0.28910585 0.28910585 0.71089415 1.0 Sc Sc6 1 0.71089415 0.71089415 0.28910585 1.0 Zn Zn7 1 0.12183760 0.12183760 0.12183760 1.0 Zn Zn8 1 0.87816240 0.87816240 0.87816240 1.0 Zn Zn9 1 0.12183760 0.12183760 0.63448819 1.0 Zn Zn10 1 0.12183760 0.63448819 0.12183760 1.0 Zn Zn11 1 0.87816240 0.87816240 0.36551181 1.0 Zn Zn12 1 0.87816240 0.36551181 0.87816240 1.0 Zn Zn13 1 0.63448819 0.12183760 0.12183760 1.0 Zn Zn14 1 0.36551181 0.87816240 0.87816240 1.0 Zn Zn15 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn18 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn21 1 0.33243954 0.33243954 0.33243954 1.0 Zn Zn22 1 0.66756046 0.66756046 0.66756046 1.0 Zn Zn23 1 0.33243954 0.33243954 0.00268337 1.0 Zn Zn24 1 0.33243954 0.00268337 0.33243954 1.0 Zn Zn25 1 0.66756046 0.66756046 0.99731663 1.0 Zn Zn26 1 0.66756046 0.99731663 0.66756046 1.0 Zn Zn27 1 0.00268337 0.33243954 0.33243954 1.0 Zn Zn28 1 0.99731663 0.66756046 0.66756046 1.0 Si Si29 1 0.50000000 0.50000000 0.50000000 1.0