# generated using pymatgen data_Tm4TiIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53606930 _cell_length_b 10.53606930 _cell_length_c 6.07726554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4TiIr3 _chemical_formula_sum 'Tm16 Ti4 Ir12' _cell_volume 674.62968910 _cell_formula_units_Z 4 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 0.28618292 0.08537982 0.37437350 1.0 Tm Tm1 1 0.28618292 0.91462018 0.87437350 1.0 Tm Tm2 1 0.71381708 0.08537982 0.87437350 1.0 Tm Tm3 1 0.71381708 0.91462018 0.37437350 1.0 Tm Tm4 1 0.58537982 0.78618292 0.87437350 1.0 Tm Tm5 1 0.58537982 0.21381708 0.37437350 1.0 Tm Tm6 1 0.41462018 0.78618292 0.37437350 1.0 Tm Tm7 1 0.41462018 0.21381708 0.87437350 1.0 Tm Tm8 1 0.21381708 0.41462018 0.62562650 1.0 Tm Tm9 1 0.21381708 0.58537982 0.12562650 1.0 Tm Tm10 1 0.78618292 0.41462018 0.12562650 1.0 Tm Tm11 1 0.78618292 0.58537982 0.62562650 1.0 Tm Tm12 1 0.91462018 0.71381708 0.12562650 1.0 Tm Tm13 1 0.91462018 0.28618292 0.62562650 1.0 Tm Tm14 1 0.08537982 0.71381708 0.62562650 1.0 Tm Tm15 1 0.08537982 0.28618292 0.12562650 1.0 Ti Ti16 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti17 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti18 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.86072579 0.13927421 0.25000000 1.0 Ir Ir21 1 0.86072579 0.86072579 0.75000000 1.0 Ir Ir22 1 0.13927421 0.13927421 0.75000000 1.0 Ir Ir23 1 0.13927421 0.86072579 0.25000000 1.0 Ir Ir24 1 0.63927421 0.36072579 0.75000000 1.0 Ir Ir25 1 0.63927421 0.63927421 0.25000000 1.0 Ir Ir26 1 0.36072579 0.36072579 0.25000000 1.0 Ir Ir27 1 0.36072579 0.63927421 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.11949827 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61949827 1.0 Ir Ir30 1 0.00000000 0.50000000 0.88050173 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38050173 1.0