# generated using pymatgen data_Li2Tb5P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69187844 _cell_length_b 12.69187906 _cell_length_c 3.94946640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.49783754 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Tb5P12Ir17 _chemical_formula_sum 'Li2 Tb5 P12 Ir17' _cell_volume 548.17635078 _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 0.44159371 0.00159541 0.00000000 1.0 Li Li1 1 0.00159541 0.44159371 0.00000000 1.0 Tb Tb2 1 0.32971132 0.66780616 0.00000000 1.0 Tb Tb3 1 0.66780616 0.32971132 0.00000000 1.0 Tb Tb4 1 0.80671773 0.99774169 0.50000000 1.0 Tb Tb5 1 0.99774169 0.80671773 0.50000000 1.0 Tb Tb6 1 0.18893410 0.18893410 0.50000000 1.0 P P7 1 0.17981847 0.00207748 0.00000000 1.0 P P8 1 0.00207748 0.17981847 0.00000000 1.0 P P9 1 0.82114001 0.82114001 0.00000000 1.0 P P10 1 0.17014921 0.48587514 0.50000000 1.0 P P11 1 0.51626266 0.69407963 0.50000000 1.0 P P12 1 0.31278213 0.83389343 0.50000000 1.0 P P13 1 0.69407963 0.51626266 0.50000000 1.0 P P14 1 0.83389343 0.31278213 0.50000000 1.0 P P15 1 0.48587514 0.17014921 0.50000000 1.0 P P16 1 0.62964212 0.00082352 0.00000000 1.0 P P17 1 0.00082352 0.62964212 0.00000000 1.0 P P18 1 0.36051523 0.36051523 0.00000000 1.0 Ir Ir19 1 0.54094713 0.54094713 0.00000000 1.0 Ir Ir20 1 0.36307801 0.49692355 0.50000000 1.0 Ir Ir21 1 0.50914486 0.87124504 0.50000000 1.0 Ir Ir22 1 0.13243584 0.64405036 0.50000000 1.0 Ir Ir23 1 0.87124504 0.50914486 0.50000000 1.0 Ir Ir24 1 0.64405036 0.13243584 0.50000000 1.0 Ir Ir25 1 0.49692355 0.36307801 0.50000000 1.0 Ir Ir26 1 0.18552504 0.37829674 0.00000000 1.0 Ir Ir27 1 0.62308757 0.79974446 0.00000000 1.0 Ir Ir28 1 0.19252968 0.82270452 0.00000000 1.0 Ir Ir29 1 0.79974446 0.62308757 0.00000000 1.0 Ir Ir30 1 0.82270452 0.19252968 0.00000000 1.0 Ir Ir31 1 0.37829674 0.18552504 0.00000000 1.0 Ir Ir32 1 0.28124218 0.00404130 0.50000000 1.0 Ir Ir33 1 0.00404130 0.28124218 0.50000000 1.0 Ir Ir34 1 0.71294596 0.71294596 0.50000000 1.0 Ir Ir35 1 0.00089959 0.00089959 0.00000000 1.0