# generated using pymatgen data_LiLu6Zn22Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86879892 _cell_length_b 8.86879811 _cell_length_c 8.86879967 _cell_angle_alpha 60.00000501 _cell_angle_beta 60.00000803 _cell_angle_gamma 60.00000233 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLu6Zn22Si _chemical_formula_sum 'Li1 Lu6 Zn22 Si1' _cell_volume 493.26406176 _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 Lu Lu1 1 0.71358289 0.28641711 0.28641711 1.0 Lu Lu2 1 0.28641711 0.71358289 0.71358289 1.0 Lu Lu3 1 0.28641711 0.71358289 0.28641711 1.0 Lu Lu4 1 0.71358289 0.28641711 0.71358289 1.0 Lu Lu5 1 0.28641711 0.28641711 0.71358289 1.0 Lu Lu6 1 0.71358289 0.71358289 0.28641711 1.0 Zn Zn7 1 0.12347881 0.12347881 0.12347881 1.0 Zn Zn8 1 0.87652119 0.87652119 0.87652119 1.0 Zn Zn9 1 0.12347881 0.12347881 0.62956557 1.0 Zn Zn10 1 0.12347881 0.62956557 0.12347881 1.0 Zn Zn11 1 0.87652119 0.87652119 0.37043443 1.0 Zn Zn12 1 0.87652119 0.37043443 0.87652119 1.0 Zn Zn13 1 0.62956557 0.12347881 0.12347881 1.0 Zn Zn14 1 0.37043443 0.87652119 0.87652119 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 0.32982415 0.32982415 0.32982415 1.0 Zn Zn22 1 0.67017585 0.67017585 0.67017585 1.0 Zn Zn23 1 0.32982415 0.32982415 0.01052856 1.0 Zn Zn24 1 0.32982415 0.01052856 0.32982415 1.0 Zn Zn25 1 0.67017585 0.67017585 0.98947144 1.0 Zn Zn26 1 0.67017585 0.98947144 0.67017585 1.0 Zn Zn27 1 0.01052856 0.32982415 0.32982415 1.0 Zn Zn28 1 0.98947144 0.67017585 0.67017585 1.0 Si Si29 1 0.50000000 0.50000000 0.50000000 1.0