# generated using pymatgen data_Tb5Sc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.79859197 _cell_length_b 12.79859306 _cell_length_c 3.95327965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Sc3(P3Ir4)4 _chemical_formula_sum 'Tb5 Sc3 P12 Ir16' _cell_volume 560.80592562 _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 Tb Tb0 1 0.33333300 0.66666700 0.50000000 1.0 Tb Tb1 1 0.66666700 0.33333300 0.50000000 1.0 Tb Tb2 1 1.00000000 0.81169590 0.00000000 1.0 Tb Tb3 1 0.18830410 0.18830410 0.00000000 1.0 Tb Tb4 1 0.81169590 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.44351444 0.50000000 1.0 Sc Sc6 1 0.55648556 0.55648556 0.50000000 1.0 Sc Sc7 1 0.44351444 1.00000000 0.50000000 1.0 P P8 1 1.00000000 0.64507829 0.50000000 1.0 P P9 1 0.35492171 0.35492171 0.50000000 1.0 P P10 1 0.64507829 0.00000000 0.50000000 1.0 P P11 1 0.51764548 0.68772526 0.00000000 1.0 P P12 1 0.31227474 0.82992122 0.00000000 1.0 P P13 1 0.17007878 0.48235452 0.00000000 1.0 P P14 1 0.48235452 0.17007878 0.00000000 1.0 P P15 1 0.68772526 0.51764548 0.00000000 1.0 P P16 1 0.82992122 0.31227474 0.00000000 1.0 P P17 1 1.00000000 0.17694842 0.50000000 1.0 P P18 1 0.82305158 0.82305158 0.50000000 1.0 P P19 1 0.17694842 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50887889 0.86770016 0.00000000 1.0 Ir Ir21 1 0.13229984 0.64117973 0.00000000 1.0 Ir Ir22 1 0.35882027 0.49112111 0.00000000 1.0 Ir Ir23 1 0.49112111 0.35882027 0.00000000 1.0 Ir Ir24 1 0.86770016 0.50887889 0.00000000 1.0 Ir Ir25 1 0.64117973 0.13229984 0.00000000 1.0 Ir Ir26 1 0.00000000 0.27744417 0.00000000 1.0 Ir Ir27 1 0.72255583 0.72255583 0.00000000 1.0 Ir Ir28 1 0.27744417 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62771548 0.80702049 0.50000000 1.0 Ir Ir30 1 0.19297951 0.82069500 0.50000000 1.0 Ir Ir31 1 0.17930500 0.37228452 0.50000000 1.0 Ir Ir32 1 0.37228452 0.17930500 0.50000000 1.0 Ir Ir33 1 0.80702049 0.62771548 0.50000000 1.0 Ir Ir34 1 0.82069500 0.19297951 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0