# generated using pymatgen data_Tm4LuIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.65069005 _cell_length_b 10.65069005 _cell_length_c 6.25816646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4LuIr3 _chemical_formula_sum 'Tm16 Lu4 Ir12' _cell_volume 709.90887136 _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 0.29073809 0.08706797 0.38126042 1.0 Tm Tm1 1 0.29073809 0.91293203 0.88126042 1.0 Tm Tm2 1 0.70926191 0.08706797 0.88126042 1.0 Tm Tm3 1 0.70926191 0.91293203 0.38126042 1.0 Tm Tm4 1 0.58706797 0.79073809 0.88126042 1.0 Tm Tm5 1 0.58706797 0.20926191 0.38126042 1.0 Tm Tm6 1 0.41293203 0.79073809 0.38126042 1.0 Tm Tm7 1 0.41293203 0.20926191 0.88126042 1.0 Tm Tm8 1 0.20926191 0.41293203 0.61873958 1.0 Tm Tm9 1 0.20926191 0.58706797 0.11873958 1.0 Tm Tm10 1 0.79073809 0.41293203 0.11873958 1.0 Tm Tm11 1 0.79073809 0.58706797 0.61873958 1.0 Tm Tm12 1 0.91293203 0.70926191 0.11873958 1.0 Tm Tm13 1 0.91293203 0.29073809 0.61873958 1.0 Tm Tm14 1 0.08706797 0.70926191 0.61873958 1.0 Tm Tm15 1 0.08706797 0.29073809 0.11873958 1.0 Lu Lu16 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu17 1 0.00000000 0.00000000 0.00000000 1.0 Lu Lu18 1 0.50000000 0.50000000 0.00000000 1.0 Lu Lu19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84729079 0.15270921 0.25000000 1.0 Ir Ir21 1 0.84729079 0.84729079 0.75000000 1.0 Ir Ir22 1 0.15270921 0.15270921 0.75000000 1.0 Ir Ir23 1 0.15270921 0.84729079 0.25000000 1.0 Ir Ir24 1 0.65270921 0.34729079 0.75000000 1.0 Ir Ir25 1 0.65270921 0.65270921 0.25000000 1.0 Ir Ir26 1 0.34729079 0.34729079 0.25000000 1.0 Ir Ir27 1 0.34729079 0.65270921 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12826520 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62826520 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87173480 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37173480 1.0