# generated using pymatgen data_Tb6Yb3ZrIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.72467841 _cell_length_b 10.87090324 _cell_length_c 6.28332589 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6Yb3ZrIr6 _chemical_formula_sum 'Tb12 Yb6 Zr2 Ir12' _cell_volume 732.55374589 _cell_formula_units_Z 2 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 0.58740718 0.79513838 0.87726803 1.0 Tb Tb1 1 0.58740718 0.20486162 0.37726803 1.0 Tb Tb2 1 0.41259282 0.79513838 0.37726803 1.0 Tb Tb3 1 0.41259282 0.20486162 0.87726803 1.0 Tb Tb4 1 0.21258047 0.41282889 0.62597340 1.0 Tb Tb5 1 0.21258047 0.58717111 0.12597340 1.0 Tb Tb6 1 0.78741953 0.41282889 0.12597340 1.0 Tb Tb7 1 0.78741953 0.58717111 0.62597340 1.0 Tb Tb8 1 0.91292538 0.71125523 0.12642215 1.0 Tb Tb9 1 0.91292538 0.28874477 0.62642215 1.0 Tb Tb10 1 0.08707462 0.71125523 0.62642215 1.0 Tb Tb11 1 0.08707462 0.28874477 0.12642215 1.0 Yb Yb12 1 0.28886004 0.08337292 0.37837693 1.0 Yb Yb13 1 0.28886004 0.91662708 0.87837693 1.0 Yb Yb14 1 0.71113996 0.08337292 0.87837693 1.0 Yb Yb15 1 0.71113996 0.91662708 0.37837693 1.0 Yb Yb16 1 0.00000000 0.00000000 0.49514174 1.0 Yb Yb17 1 0.00000000 0.00000000 0.99514174 1.0 Zr Zr18 1 0.50000000 0.50000000 0.99141014 1.0 Zr Zr19 1 0.50000000 0.50000000 0.49141014 1.0 Ir Ir20 1 0.84934802 0.16489278 0.24952120 1.0 Ir Ir21 1 0.84934802 0.83510722 0.74952120 1.0 Ir Ir22 1 0.15065198 0.16489278 0.74952120 1.0 Ir Ir23 1 0.15065198 0.83510722 0.24952120 1.0 Ir Ir24 1 0.64052695 0.35915201 0.74375384 1.0 Ir Ir25 1 0.64052695 0.64084799 0.24375384 1.0 Ir Ir26 1 0.35947305 0.35915201 0.24375384 1.0 Ir Ir27 1 0.35947305 0.64084799 0.74375384 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12462625 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62462625 1.0 Ir Ir30 1 0.00000000 0.50000000 0.88619178 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38619178 1.0