# generated using pymatgen data_Li3Tb5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64203533 _cell_length_b 12.64203484 _cell_length_c 3.95928637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Tb5(P3Ir4)4 _chemical_formula_sum 'Li3 Tb5 P12 Ir16' _cell_volume 548.00123165 _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 0.44059707 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.44059707 0.00000000 1.0 Li Li2 1 0.55940293 0.55940293 0.00000000 1.0 Tb Tb3 1 0.33333300 0.66666700 0.00000000 1.0 Tb Tb4 1 0.66666700 0.33333300 0.00000000 1.0 Tb Tb5 1 0.80871810 0.00000000 0.50000000 1.0 Tb Tb6 1 0.00000000 0.80871810 0.50000000 1.0 Tb Tb7 1 0.19128190 0.19128190 0.50000000 1.0 P P8 1 0.17961942 1.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17961942 0.00000000 1.0 P P10 1 0.82038058 0.82038058 0.00000000 1.0 P P11 1 0.17106988 0.48304063 0.50000000 1.0 P P12 1 0.51695937 0.68802825 0.50000000 1.0 P P13 1 0.31197175 0.82893012 0.50000000 1.0 P P14 1 0.68802825 0.51695937 0.50000000 1.0 P P15 1 0.82893012 0.31197175 0.50000000 1.0 P P16 1 0.48304063 0.17106988 0.50000000 1.0 P P17 1 0.62902697 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.62902697 0.00000000 1.0 P P19 1 0.37097303 0.37097303 0.00000000 1.0 Ir Ir20 1 0.35939044 0.49075004 0.50000000 1.0 Ir Ir21 1 0.50924996 0.86864041 0.50000000 1.0 Ir Ir22 1 0.13135959 0.64060956 0.50000000 1.0 Ir Ir23 1 0.86864041 0.50924996 0.50000000 1.0 Ir Ir24 1 0.64060956 0.13135959 0.50000000 1.0 Ir Ir25 1 0.49075004 0.35939044 0.50000000 1.0 Ir Ir26 1 0.18025894 0.37327163 0.00000000 1.0 Ir Ir27 1 0.62672837 0.80698831 0.00000000 1.0 Ir Ir28 1 0.19301169 0.81974106 0.00000000 1.0 Ir Ir29 1 0.80698831 0.62672837 0.00000000 1.0 Ir Ir30 1 0.81974106 0.19301169 0.00000000 1.0 Ir Ir31 1 0.37327163 0.18025894 0.00000000 1.0 Ir Ir32 1 0.28000596 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28000596 0.50000000 1.0 Ir Ir34 1 0.71999404 0.71999404 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0