# generated using pymatgen data_Tm4ScIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.58122803 _cell_length_b 10.58122803 _cell_length_c 6.18933026 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4ScIr3 _chemical_formula_sum 'Tm16 Sc4 Ir12' _cell_volume 692.97218724 _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 0.28824860 0.08591852 0.37699880 1.0 Tm Tm1 1 0.28824860 0.91408148 0.87699880 1.0 Tm Tm2 1 0.71175140 0.08591852 0.87699880 1.0 Tm Tm3 1 0.71175140 0.91408148 0.37699880 1.0 Tm Tm4 1 0.58591852 0.78824860 0.87699880 1.0 Tm Tm5 1 0.58591852 0.21175140 0.37699880 1.0 Tm Tm6 1 0.41408148 0.78824860 0.37699880 1.0 Tm Tm7 1 0.41408148 0.21175140 0.87699880 1.0 Tm Tm8 1 0.21175140 0.41408148 0.62300120 1.0 Tm Tm9 1 0.21175140 0.58591852 0.12300120 1.0 Tm Tm10 1 0.78824860 0.41408148 0.12300120 1.0 Tm Tm11 1 0.78824860 0.58591852 0.62300120 1.0 Tm Tm12 1 0.91408148 0.71175140 0.12300120 1.0 Tm Tm13 1 0.91408148 0.28824860 0.62300120 1.0 Tm Tm14 1 0.08591852 0.71175140 0.62300120 1.0 Tm Tm15 1 0.08591852 0.28824860 0.12300120 1.0 Sc Sc16 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc17 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc18 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85031346 0.14968654 0.25000000 1.0 Ir Ir21 1 0.85031346 0.85031346 0.75000000 1.0 Ir Ir22 1 0.14968654 0.14968654 0.75000000 1.0 Ir Ir23 1 0.14968654 0.85031346 0.25000000 1.0 Ir Ir24 1 0.64968654 0.35031346 0.75000000 1.0 Ir Ir25 1 0.64968654 0.64968654 0.25000000 1.0 Ir Ir26 1 0.35031346 0.35031346 0.25000000 1.0 Ir Ir27 1 0.35031346 0.64968654 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12401858 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62401858 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87598142 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37598142 1.0