# generated using pymatgen data_Tm6Sc4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01254853 _cell_length_b 9.01254944 _cell_length_c 9.01254854 _cell_angle_alpha 59.99999610 _cell_angle_beta 59.99999275 _cell_angle_gamma 60.00000060 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Sc4Al12Ir7 _chemical_formula_sum 'Tm6 Sc4 Al12 Ir7' _cell_volume 517.64003854 _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 0.70438322 0.70438322 0.29561678 1.0 Tm Tm1 1 0.29561678 0.70438322 0.29561678 1.0 Tm Tm2 1 0.70438322 0.29561678 0.29561678 1.0 Tm Tm3 1 0.29561678 0.29561678 0.70438322 1.0 Tm Tm4 1 0.70438322 0.29561678 0.70438322 1.0 Tm Tm5 1 0.29561678 0.70438322 0.70438322 1.0 Sc Sc6 1 0.88110406 0.88110406 0.35668882 1.0 Sc Sc7 1 0.88110406 0.35668882 0.88110406 1.0 Sc Sc8 1 0.35668882 0.88110406 0.88110406 1.0 Sc Sc9 1 0.88110406 0.88110406 0.88110406 1.0 Al Al10 1 0.12052579 0.12052579 0.63842264 1.0 Al Al11 1 0.12052579 0.63842264 0.12052579 1.0 Al Al12 1 0.63842264 0.12052579 0.12052579 1.0 Al Al13 1 0.12052579 0.12052579 0.12052579 1.0 Al Al14 1 0.66889820 0.66889820 0.99330539 1.0 Al Al15 1 0.66889820 0.99330539 0.66889820 1.0 Al Al16 1 0.99330539 0.66889820 0.66889820 1.0 Al Al17 1 0.66889820 0.66889820 0.66889820 1.0 Al Al18 1 0.32978292 0.32978292 0.01065224 1.0 Al Al19 1 0.32978292 0.01065224 0.32978292 1.0 Al Al20 1 0.01065224 0.32978292 0.32978292 1.0 Al Al21 1 0.32978292 0.32978292 0.32978292 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00197072 0.00197072 0.49802928 1.0 Ir Ir24 1 0.49802928 0.00197072 0.49802928 1.0 Ir Ir25 1 0.00197072 0.49802928 0.49802928 1.0 Ir Ir26 1 0.49802928 0.49802928 0.00197072 1.0 Ir Ir27 1 0.00197072 0.49802928 0.00197072 1.0 Ir Ir28 1 0.49802928 0.00197072 0.00197072 1.0