# generated using pymatgen data_LiEr6P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95438626 _cell_length_b 11.17304208 _cell_length_c 12.60264645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiEr6P12Ir17 _chemical_formula_sum 'Li1 Er6 P12 Ir17' _cell_volume 556.81672990 _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 0.25000000 0.25000000 0.84530667 1.0 Er Er1 1 0.75000000 0.25000000 0.48243992 1.0 Er Er2 1 0.25000000 0.75000000 0.52172688 1.0 Er Er3 1 0.25000000 0.93422659 0.79495340 1.0 Er Er4 1 0.25000000 0.56577341 0.79495340 1.0 Er Er5 1 0.75000000 0.06667327 0.20456315 1.0 Er Er6 1 0.75000000 0.43332673 0.20456315 1.0 P P7 1 0.25000000 0.25000000 0.12078470 1.0 P P8 1 0.75000000 0.75000000 0.87552411 1.0 P P9 1 0.25000000 0.25000000 0.65672287 1.0 P P10 1 0.75000000 0.75000000 0.35843597 1.0 P P11 1 0.25000000 0.43518412 0.38103690 1.0 P P12 1 0.25000000 0.06481588 0.38103690 1.0 P P13 1 0.75000000 0.56273652 0.61750238 1.0 P P14 1 0.75000000 0.93726348 0.61750238 1.0 P P15 1 0.25000000 0.90533111 0.10545643 1.0 P P16 1 0.25000000 0.59466889 0.10545643 1.0 P P17 1 0.75000000 0.09229212 0.89175305 1.0 P P18 1 0.75000000 0.40770788 0.89175305 1.0 Ir Ir19 1 0.75000000 0.75000000 0.17823965 1.0 Ir Ir20 1 0.25000000 0.25000000 0.30071933 1.0 Ir Ir21 1 0.75000000 0.75000000 0.69716381 1.0 Ir Ir22 1 0.75000000 0.25000000 0.01812050 1.0 Ir Ir23 1 0.25000000 0.75000000 0.97253871 1.0 Ir Ir24 1 0.25000000 0.41774953 0.00772470 1.0 Ir Ir25 1 0.25000000 0.08225047 0.00772470 1.0 Ir Ir26 1 0.75000000 0.58591760 0.99505396 1.0 Ir Ir27 1 0.75000000 0.91408240 0.99505396 1.0 Ir Ir28 1 0.25000000 0.45883766 0.56664540 1.0 Ir Ir29 1 0.25000000 0.04116234 0.56664540 1.0 Ir Ir30 1 0.75000000 0.54645953 0.42654481 1.0 Ir Ir31 1 0.75000000 0.95354047 0.42654481 1.0 Ir Ir32 1 0.25000000 0.88054818 0.28428764 1.0 Ir Ir33 1 0.25000000 0.61945182 0.28428764 1.0 Ir Ir34 1 0.75000000 0.12123580 0.71061613 1.0 Ir Ir35 1 0.75000000 0.37876420 0.71061613 1.0