# generated using pymatgen data_Na5Li3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.57242900 _cell_length_b 12.57242820 _cell_length_c 3.88989820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999440 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Li3(P3Ir4)4 _chemical_formula_sum 'Na5 Li3 P12 Ir16' _cell_volume 532.48484009 _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 Na Na0 1 0.33333300 0.66666700 0.50000000 1.0 Na Na1 1 0.66666700 0.33333300 0.50000000 1.0 Na Na2 1 1.00000000 0.81598747 0.00000000 1.0 Na Na3 1 0.18401253 0.18401253 0.00000000 1.0 Na Na4 1 0.81598747 1.00000000 0.00000000 1.0 Li Li5 1 0.00000000 0.44003082 0.50000000 1.0 Li Li6 1 0.55996918 0.55996918 0.50000000 1.0 Li Li7 1 0.44003082 0.00000000 0.50000000 1.0 P P8 1 1.00000000 0.62763888 0.50000000 1.0 P P9 1 0.37236112 0.37236112 0.50000000 1.0 P P10 1 0.62763888 1.00000000 0.50000000 1.0 P P11 1 0.51580606 0.68983784 0.00000000 1.0 P P12 1 0.31016216 0.82596822 0.00000000 1.0 P P13 1 0.17403178 0.48419394 0.00000000 1.0 P P14 1 0.48419394 0.17403178 0.00000000 1.0 P P15 1 0.68983784 0.51580606 0.00000000 1.0 P P16 1 0.82596822 0.31016216 0.00000000 1.0 P P17 1 1.00000000 0.17973872 0.50000000 1.0 P P18 1 0.82026128 0.82026128 0.50000000 1.0 P P19 1 0.17973872 1.00000000 0.50000000 1.0 Ir Ir20 1 0.51071378 0.87231563 0.00000000 1.0 Ir Ir21 1 0.12768437 0.63839815 0.00000000 1.0 Ir Ir22 1 0.36160185 0.48928622 0.00000000 1.0 Ir Ir23 1 0.48928622 0.36160185 0.00000000 1.0 Ir Ir24 1 0.87231563 0.51071378 0.00000000 1.0 Ir Ir25 1 0.63839815 0.12768437 0.00000000 1.0 Ir Ir26 1 0.00000000 0.27956869 0.00000000 1.0 Ir Ir27 1 0.72043131 0.72043131 0.00000000 1.0 Ir Ir28 1 0.27956869 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62137385 0.80233280 0.50000000 1.0 Ir Ir30 1 0.19766720 0.81904105 0.50000000 1.0 Ir Ir31 1 0.18095895 0.37862615 0.50000000 1.0 Ir Ir32 1 0.37862615 0.18095895 0.50000000 1.0 Ir Ir33 1 0.80233280 0.62137385 0.50000000 1.0 Ir Ir34 1 0.81904105 0.19766720 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0