# generated using pymatgen data_LiAlSi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06587000 _cell_length_b 7.68655531 _cell_length_c 8.76953591 _cell_angle_alpha 114.03946298 _cell_angle_beta 90.55182810 _cell_angle_gamma 89.90169626 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlSi2O7 _chemical_formula_sum 'Li2 Al2 Si4 O14' _cell_volume 311.84433330 _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 Li Li0 1 0.34670700 0.12167000 0.29161600 1.0 Li Li1 1 0.84468100 0.92855200 0.71662400 1.0 Al Al2 1 0.85497200 0.93750900 0.37761400 1.0 Al Al3 1 0.33387400 0.91104400 0.89316700 1.0 Si Si4 1 0.83619100 0.09802700 0.10110600 1.0 Si Si5 1 0.81381700 0.50817300 0.10590500 1.0 Si Si6 1 0.30688100 0.49513700 0.88657600 1.0 Si Si7 1 0.35452400 0.07389800 0.61470400 1.0 O O8 1 0.71847800 0.05092200 0.25405100 1.0 O O9 1 0.15276400 0.04770800 0.07760200 1.0 O O10 1 0.78625000 0.32485100 0.15567900 1.0 O O11 1 0.53193800 0.54275500 0.03204700 1.0 O O12 1 0.89123100 0.69431300 0.26918200 1.0 O O13 1 0.17080800 0.04143400 0.45021600 1.0 O O14 1 0.44171400 0.47334600 0.45675400 1.0 O O15 1 0.22122900 0.96945700 0.72621400 1.0 O O16 1 0.67421400 0.97466400 0.92643300 1.0 O O17 1 0.27571700 0.67088600 0.83283000 1.0 O O18 1 0.03113500 0.44966500 0.95747500 1.0 O O19 1 0.38739400 0.30235800 0.72449000 1.0 O O20 1 0.65105200 0.98744400 0.55460100 1.0 O O21 1 0.63002900 0.57108500 0.53391600 1.0