# generated using pymatgen data_Tm4Al18NiIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47469953 _cell_length_b 7.47469879 _cell_length_c 9.32581387 _cell_angle_alpha 90.18115049 _cell_angle_beta 90.18114930 _cell_angle_gamma 119.80894152 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Al18NiIr5 _chemical_formula_sum 'Tm4 Al18 Ni1 Ir5' _cell_volume 452.09435104 _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 0.99498633 0.66806231 0.24999550 1.0 Tm Tm1 1 0.00501367 0.33193769 0.75000450 1.0 Tm Tm2 1 0.66806231 0.99498633 0.24999550 1.0 Tm Tm3 1 0.33193769 0.00501367 0.75000450 1.0 Al Al4 1 0.12316118 0.12316118 0.24601511 1.0 Al Al5 1 0.87683882 0.87683882 0.75398489 1.0 Al Al6 1 0.00002347 0.33170908 0.07392157 1.0 Al Al7 1 0.99997653 0.66829092 0.92607843 1.0 Al Al8 1 0.99922841 0.66651738 0.57454224 1.0 Al Al9 1 0.33348262 0.00077159 0.42545776 1.0 Al Al10 1 0.00077159 0.33348262 0.42545776 1.0 Al Al11 1 0.66651738 0.99922841 0.57454224 1.0 Al Al12 1 0.66829092 0.99997653 0.92607843 1.0 Al Al13 1 0.33170908 0.00002347 0.07392157 1.0 Al Al14 1 0.33355990 0.33355990 0.55288784 1.0 Al Al15 1 0.66644010 0.66644010 0.44711216 1.0 Al Al16 1 0.66969125 0.66969125 0.05056158 1.0 Al Al17 1 0.33030875 0.33030875 0.94943842 1.0 Al Al18 1 0.33823382 0.54651702 0.24912569 1.0 Al Al19 1 0.66176618 0.45348298 0.75087431 1.0 Al Al20 1 0.54651702 0.33823382 0.24912569 1.0 Al Al21 1 0.45348298 0.66176618 0.75087431 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.67246080 0.32753920 0.00000000 1.0 Ir Ir24 1 0.32753920 0.67246080 1.00000000 1.0 Ir Ir25 1 0.32768800 0.67231200 0.50000000 1.0 Ir Ir26 1 0.67231200 0.32768800 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0