# generated using pymatgen data_Tm6Sc8Al8Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19592411 _cell_length_b 9.19592452 _cell_length_c 9.19592439 _cell_angle_alpha 60.00000046 _cell_angle_beta 59.99999897 _cell_angle_gamma 60.00000492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Sc8Al8Ir7 _chemical_formula_sum 'Tm6 Sc8 Al8 Ir7' _cell_volume 549.88412854 _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 0.69661393 0.69661393 0.30338607 1.0 Tm Tm1 1 0.30338607 0.69661393 0.30338607 1.0 Tm Tm2 1 0.69661393 0.30338607 0.30338607 1.0 Tm Tm3 1 0.30338607 0.30338607 0.69661393 1.0 Tm Tm4 1 0.69661393 0.30338607 0.69661393 1.0 Tm Tm5 1 0.30338607 0.69661393 0.69661393 1.0 Sc Sc6 1 0.87957303 0.87957303 0.36128191 1.0 Sc Sc7 1 0.87957303 0.36128191 0.87957303 1.0 Sc Sc8 1 0.36128191 0.87957303 0.87957303 1.0 Sc Sc9 1 0.87957303 0.87957303 0.87957303 1.0 Sc Sc10 1 0.12042697 0.12042697 0.63871809 1.0 Sc Sc11 1 0.12042697 0.63871809 0.12042697 1.0 Sc Sc12 1 0.63871809 0.12042697 0.12042697 1.0 Sc Sc13 1 0.12042697 0.12042697 0.12042697 1.0 Al Al14 1 0.66986156 0.66986156 0.99041532 1.0 Al Al15 1 0.66986156 0.99041532 0.66986156 1.0 Al Al16 1 0.99041532 0.66986156 0.66986156 1.0 Al Al17 1 0.66986156 0.66986156 0.66986156 1.0 Al Al18 1 0.33013844 0.33013844 0.00958468 1.0 Al Al19 1 0.33013844 0.00958468 0.33013844 1.0 Al Al20 1 0.00958468 0.33013844 0.33013844 1.0 Al Al21 1 0.33013844 0.33013844 0.33013844 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0