# generated using pymatgen data_Li3Pa5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68104436 _cell_length_b 12.68104426 _cell_length_c 3.96798614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999768 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Pa5(P3Ir4)4 _chemical_formula_sum 'Li3 Pa5 P12 Ir16' _cell_volume 552.59993387 _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 0.43581265 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.43581265 0.00000000 1.0 Li Li2 1 0.56418735 0.56418735 0.00000000 1.0 Pa Pa3 1 0.33333300 0.66666700 0.00000000 1.0 Pa Pa4 1 0.66666700 0.33333300 0.00000000 1.0 Pa Pa5 1 0.80938775 0.00000000 0.50000000 1.0 Pa Pa6 1 0.00000000 0.80938775 0.50000000 1.0 Pa Pa7 1 0.19061225 0.19061225 0.50000000 1.0 P P8 1 0.17828780 1.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17828780 0.00000000 1.0 P P10 1 0.82171220 0.82171220 0.00000000 1.0 P P11 1 0.16274186 0.47987796 0.50000000 1.0 P P12 1 0.52012204 0.68286290 0.50000000 1.0 P P13 1 0.31713710 0.83725814 0.50000000 1.0 P P14 1 0.68286290 0.52012204 0.50000000 1.0 P P15 1 0.83725814 0.31713710 0.50000000 1.0 P P16 1 0.47987796 0.16274186 0.50000000 1.0 P P17 1 0.62652078 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.62652078 0.00000000 1.0 P P19 1 0.37347922 0.37347922 0.00000000 1.0 Ir Ir20 1 0.35446776 0.48958593 0.50000000 1.0 Ir Ir21 1 0.51041407 0.86488184 0.50000000 1.0 Ir Ir22 1 0.13511816 0.64553224 0.50000000 1.0 Ir Ir23 1 0.86488184 0.51041407 0.50000000 1.0 Ir Ir24 1 0.64553224 0.13511816 0.50000000 1.0 Ir Ir25 1 0.48958593 0.35446776 0.50000000 1.0 Ir Ir26 1 0.18229151 0.37144132 0.00000000 1.0 Ir Ir27 1 0.62855868 0.81085019 0.00000000 1.0 Ir Ir28 1 0.18914981 0.81770849 0.00000000 1.0 Ir Ir29 1 0.81085019 0.62855868 0.00000000 1.0 Ir Ir30 1 0.81770849 0.18914981 0.00000000 1.0 Ir Ir31 1 0.37144132 0.18229151 0.00000000 1.0 Ir Ir32 1 0.27909766 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27909766 0.50000000 1.0 Ir Ir34 1 0.72090234 0.72090234 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0