# generated using pymatgen data_Li5TiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08352500 _cell_length_b 7.41479910 _cell_length_c 8.51528984 _cell_angle_alpha 106.65831189 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.21919037 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5TiAs3 _chemical_formula_sum 'Li10 Ti2 As6' _cell_volume 332.54508873 _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 0.92919400 0.65513600 0.42333300 1.0 Li Li1 1 0.58433000 0.34486400 0.07666700 1.0 Li Li2 1 0.91581900 0.65766000 0.90363500 1.0 Li Li3 1 0.41381400 0.65556000 0.92337100 1.0 Li Li4 1 0.57347800 0.34234000 0.59636500 1.0 Li Li5 1 0.26955500 0.00000000 0.25000000 1.0 Li Li6 1 0.42652200 0.65766000 0.40363500 1.0 Li Li7 1 0.08418100 0.34234000 0.09636500 1.0 Li Li8 1 0.73044500 0.00000000 0.75000000 1.0 Li Li9 1 0.07080600 0.34486400 0.57666700 1.0 Ti Ti10 1 0.23487800 0.00000000 0.75000000 1.0 Ti Ti11 1 0.76512200 0.00000000 0.25000000 1.0 As As12 1 0.00000000 0.00000000 0.00000000 1.0 As As13 1 0.62347400 0.68944500 0.67311000 1.0 As As14 1 0.00000000 0.00000000 0.50000000 1.0 As As15 1 0.37652600 0.31055500 0.32689000 1.0 As As16 1 0.68708100 0.68944500 0.17311000 1.0 As As17 1 0.31291900 0.31055500 0.82689000 1.0