# generated using pymatgen data_Li2TiIr4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27042776 _cell_length_b 6.01809063 _cell_length_c 12.78671809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00042688 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiIr4W _chemical_formula_sum 'Li6 Ti3 Ir12 W3' _cell_volume 328.61636985 _cell_formula_units_Z 3 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 0.99998058 0.50000000 0.99806507 1.0 Li Li1 1 0.49976938 0.00000000 0.16676127 1.0 Li Li2 1 0.99996233 0.50000000 0.33481823 1.0 Li Li3 1 0.50000033 0.00000000 0.50245364 1.0 Li Li4 1 0.00012475 0.50000000 0.66688083 1.0 Li Li5 1 0.50017424 0.00000000 0.83135494 1.0 Ti Ti6 1 0.50001205 0.50000000 0.50437099 1.0 Ti Ti7 1 0.00011203 0.00000000 0.66661852 1.0 Ti Ti8 1 0.50011221 0.50000000 0.82891105 1.0 Ir Ir9 1 0.49999386 0.24922891 0.00142653 1.0 Ir Ir10 1 0.49999386 0.75077209 0.00142653 1.0 Ir Ir11 1 0.99984606 0.24914066 0.16661995 1.0 Ir Ir12 1 0.99984606 0.75085934 0.16661995 1.0 Ir Ir13 1 0.49991960 0.24918418 0.33189600 1.0 Ir Ir14 1 0.49991960 0.75081582 0.33189600 1.0 Ir Ir15 1 0.00000810 0.25045087 0.49944549 1.0 Ir Ir16 1 0.00000810 0.74954913 0.49944549 1.0 Ir Ir17 1 0.50012189 0.25047889 0.66666083 1.0 Ir Ir18 1 0.50012189 0.74952111 0.66666083 1.0 Ir Ir19 1 0.00011802 0.25036434 0.83381551 1.0 Ir Ir20 1 0.00011802 0.74963566 0.83381551 1.0 W W21 1 0.00000027 0.00000000 0.99546009 1.0 W W22 1 0.49978769 0.50000000 0.16673466 1.0 W W23 1 0.99995409 0.00000000 0.33784508 1.0