# generated using pymatgen data_Li3Th5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.77327428 _cell_length_b 12.77327480 _cell_length_c 4.03421181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999866 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Th5(P3Ir4)4 _chemical_formula_sum 'Li3 Th5 P12 Ir16' _cell_volume 570.02490059 _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 0.00000000 0.43661842 0.50000000 1.0 Li Li1 1 0.56338158 0.56338158 0.50000000 1.0 Li Li2 1 0.43661842 0.00000000 0.50000000 1.0 Th Th3 1 0.33333300 0.66666700 0.50000000 1.0 Th Th4 1 0.66666700 0.33333300 0.50000000 1.0 Th Th5 1 0.00000000 0.80568505 0.00000000 1.0 Th Th6 1 0.19431495 0.19431495 0.00000000 1.0 Th Th7 1 0.80568505 0.00000000 0.00000000 1.0 P P8 1 1.00000000 0.62437338 0.50000000 1.0 P P9 1 0.37562662 0.37562662 0.50000000 1.0 P P10 1 0.62437338 0.00000000 0.50000000 1.0 P P11 1 0.51995013 0.68546032 0.00000000 1.0 P P12 1 0.31453968 0.83448980 0.00000000 1.0 P P13 1 0.16551020 0.48004987 0.00000000 1.0 P P14 1 0.48004987 0.16551020 0.00000000 1.0 P P15 1 0.68546032 0.51995013 0.00000000 1.0 P P16 1 0.83448980 0.31453968 0.00000000 1.0 P P17 1 1.00000000 0.18050717 0.50000000 1.0 P P18 1 0.81949283 0.81949283 0.50000000 1.0 P P19 1 0.18050717 0.00000000 0.50000000 1.0 Ir Ir20 1 0.51105284 0.86733960 0.00000000 1.0 Ir Ir21 1 0.13266040 0.64371424 0.00000000 1.0 Ir Ir22 1 0.35628576 0.48894716 0.00000000 1.0 Ir Ir23 1 0.48894716 0.35628576 0.00000000 1.0 Ir Ir24 1 0.86733960 0.51105284 0.00000000 1.0 Ir Ir25 1 0.64371424 0.13266040 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28134957 0.00000000 1.0 Ir Ir27 1 0.71865043 0.71865043 0.00000000 1.0 Ir Ir28 1 0.28134957 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62568514 0.80551314 0.50000000 1.0 Ir Ir30 1 0.19448686 0.82017100 0.50000000 1.0 Ir Ir31 1 0.17982900 0.37431486 0.50000000 1.0 Ir Ir32 1 0.37431486 0.17982900 0.50000000 1.0 Ir Ir33 1 0.80551314 0.62568514 0.50000000 1.0 Ir Ir34 1 0.82017100 0.19448686 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0