# generated using pymatgen data_Li2Tm5P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.65628136 _cell_length_b 12.65628233 _cell_length_c 3.92375260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.49158967 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Tm5P12Ir17 _chemical_formula_sum 'Li2 Tm5 P12 Ir17' _cell_volume 541.59148247 _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 0.44238004 0.00169770 0.00000000 1.0 Li Li1 1 0.00169770 0.44238004 0.00000000 1.0 Tm Tm2 1 0.32902142 0.66767251 0.00000000 1.0 Tm Tm3 1 0.66767251 0.32902142 0.00000000 1.0 Tm Tm4 1 0.80774737 0.99830436 0.50000000 1.0 Tm Tm5 1 0.99830436 0.80774737 0.50000000 1.0 Tm Tm6 1 0.18863682 0.18863682 0.50000000 1.0 P P7 1 0.17918057 0.00246324 0.00000000 1.0 P P8 1 0.00246324 0.17918057 0.00000000 1.0 P P9 1 0.82222640 0.82222640 0.00000000 1.0 P P10 1 0.17049781 0.48682234 0.50000000 1.0 P P11 1 0.51582583 0.69358559 0.50000000 1.0 P P12 1 0.31249694 0.83308772 0.50000000 1.0 P P13 1 0.69358559 0.51582583 0.50000000 1.0 P P14 1 0.83308772 0.31249694 0.50000000 1.0 P P15 1 0.48682234 0.17049781 0.50000000 1.0 P P16 1 0.63134552 0.00001825 0.00000000 1.0 P P17 1 0.00001825 0.63134552 0.00000000 1.0 P P18 1 0.35952751 0.35952751 0.00000000 1.0 Ir Ir19 1 0.54066790 0.54066790 0.00000000 1.0 Ir Ir20 1 0.36235510 0.49788720 0.50000000 1.0 Ir Ir21 1 0.50771724 0.86982858 0.50000000 1.0 Ir Ir22 1 0.13255880 0.64390687 0.50000000 1.0 Ir Ir23 1 0.86982858 0.50771724 0.50000000 1.0 Ir Ir24 1 0.64390687 0.13255880 0.50000000 1.0 Ir Ir25 1 0.49788720 0.36235510 0.50000000 1.0 Ir Ir26 1 0.18550945 0.37696665 0.00000000 1.0 Ir Ir27 1 0.62511985 0.80240378 0.00000000 1.0 Ir Ir28 1 0.19029199 0.82244679 0.00000000 1.0 Ir Ir29 1 0.80240378 0.62511985 0.00000000 1.0 Ir Ir30 1 0.82244679 0.19029199 0.00000000 1.0 Ir Ir31 1 0.37696665 0.18550945 0.00000000 1.0 Ir Ir32 1 0.28056573 0.00398670 0.50000000 1.0 Ir Ir33 1 0.00398670 0.28056573 0.50000000 1.0 Ir Ir34 1 0.71410974 0.71410974 0.50000000 1.0 Ir Ir35 1 0.00113970 0.00113970 0.00000000 1.0