# generated using pymatgen data_Tb4Be5Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40690129 _cell_length_b 5.40690053 _cell_length_c 21.75194274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4Be5Ir9 _chemical_formula_sum 'Tb8 Be10 Ir18' _cell_volume 550.71326334 _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 0.33333300 0.66666700 0.52603215 1.0 Tb Tb1 1 0.66666700 0.33333300 0.47396785 1.0 Tb Tb2 1 0.66666700 0.33333300 0.02603215 1.0 Tb Tb3 1 0.33333300 0.66666700 0.97396785 1.0 Tb Tb4 1 0.33333300 0.66666700 0.67369909 1.0 Tb Tb5 1 0.66666700 0.33333300 0.32630091 1.0 Tb Tb6 1 0.66666700 0.33333300 0.17369909 1.0 Tb Tb7 1 0.33333300 0.66666700 0.82630091 1.0 Be Be8 1 0.00000000 0.00000000 0.00000000 1.0 Be Be9 1 0.00000000 0.00000000 0.50000000 1.0 Be Be10 1 0.33333300 0.66666700 0.16919962 1.0 Be Be11 1 0.66666700 0.33333300 0.83080038 1.0 Be Be12 1 0.66666700 0.33333300 0.66919962 1.0 Be Be13 1 0.33333300 0.66666700 0.33080038 1.0 Be Be14 1 0.00000000 0.00000000 0.16937857 1.0 Be Be15 1 0.00000000 0.00000000 0.83062143 1.0 Be Be16 1 0.00000000 0.00000000 0.66937857 1.0 Be Be17 1 0.00000000 0.00000000 0.33062143 1.0 Ir Ir18 1 0.16600916 0.33201931 0.08980827 1.0 Ir Ir19 1 0.83399084 0.66798069 0.91019173 1.0 Ir Ir20 1 0.66798069 0.83399084 0.08980827 1.0 Ir Ir21 1 0.83399084 0.66798069 0.58980827 1.0 Ir Ir22 1 0.33201931 0.16600916 0.91019173 1.0 Ir Ir23 1 0.16600916 0.33201931 0.41019173 1.0 Ir Ir24 1 0.16600916 0.83399084 0.08980827 1.0 Ir Ir25 1 0.33201931 0.16600916 0.58980827 1.0 Ir Ir26 1 0.83399084 0.16600916 0.91019173 1.0 Ir Ir27 1 0.66798069 0.83399084 0.41019173 1.0 Ir Ir28 1 0.83399084 0.16600916 0.58980827 1.0 Ir Ir29 1 0.16600916 0.83399084 0.41019173 1.0 Ir Ir30 1 0.16646046 0.33291992 0.25000000 1.0 Ir Ir31 1 0.83353954 0.66708008 0.75000000 1.0 Ir Ir32 1 0.66708008 0.83353954 0.25000000 1.0 Ir Ir33 1 0.33291992 0.16646046 0.75000000 1.0 Ir Ir34 1 0.16646046 0.83353954 0.25000000 1.0 Ir Ir35 1 0.83353954 0.16646046 0.75000000 1.0