# generated using pymatgen data_Tm4Al18(NiIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43121102 _cell_length_b 7.43121056 _cell_length_c 9.22386294 _cell_angle_alpha 89.99312243 _cell_angle_beta 89.99312704 _cell_angle_gamma 119.54278622 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Al18(NiIr)3 _chemical_formula_sum 'Tm4 Al18 Ni3 Ir3' _cell_volume 443.14424979 _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 Tm Tm0 1 0.99384484 0.67138185 0.25027020 1.0 Tm Tm1 1 0.00615516 0.32861815 0.74972980 1.0 Tm Tm2 1 0.67138185 0.99384484 0.25027020 1.0 Tm Tm3 1 0.32861815 0.00615516 0.74972980 1.0 Al Al4 1 0.12648765 0.12648765 0.24502075 1.0 Al Al5 1 0.87351235 0.87351235 0.75497925 1.0 Al Al6 1 0.99664714 0.33480149 0.07387643 1.0 Al Al7 1 0.00335286 0.66519851 0.92612357 1.0 Al Al8 1 0.99903981 0.66479931 0.57481634 1.0 Al Al9 1 0.33520069 0.00096019 0.42518366 1.0 Al Al10 1 0.00096019 0.33520069 0.42518366 1.0 Al Al11 1 0.66479931 0.99903981 0.57481634 1.0 Al Al12 1 0.66519851 0.00335286 0.92612357 1.0 Al Al13 1 0.33480149 0.99664714 0.07387643 1.0 Al Al14 1 0.33376121 0.33376121 0.55161517 1.0 Al Al15 1 0.66623879 0.66623879 0.44838483 1.0 Al Al16 1 0.66879889 0.66879889 0.04849437 1.0 Al Al17 1 0.33120111 0.33120111 0.95150563 1.0 Al Al18 1 0.34048647 0.55163266 0.24497740 1.0 Al Al19 1 0.65951353 0.44836734 0.75502260 1.0 Al Al20 1 0.55163266 0.34048647 0.24497740 1.0 Al Al21 1 0.44836734 0.65951353 0.75502260 1.0 Ni Ni22 1 0.67199662 0.32800338 1.00000000 1.0 Ni Ni23 1 0.32800338 0.67199662 0.00000000 1.0 Ni Ni24 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.32821979 0.67178021 0.50000000 1.0 Ir Ir26 1 0.67178021 0.32821979 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0