# generated using pymatgen data_Tm16Lu4(Ir3Rh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62313723 _cell_length_b 10.62313723 _cell_length_c 6.28224041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm16Lu4(Ir3Rh)3 _chemical_formula_sum 'Tm16 Lu4 Ir9 Rh3' _cell_volume 708.95739329 _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 0.29001365 0.08688278 0.38192691 1.0 Tm Tm1 1 0.29022043 0.91220389 0.88206089 1.0 Tm Tm2 1 0.70977957 0.08779611 0.88206089 1.0 Tm Tm3 1 0.70998635 0.91311722 0.38192691 1.0 Tm Tm4 1 0.58779611 0.79022043 0.88206089 1.0 Tm Tm5 1 0.58688278 0.20998635 0.38192691 1.0 Tm Tm6 1 0.41311722 0.79001365 0.38192691 1.0 Tm Tm7 1 0.41220389 0.20977957 0.88206089 1.0 Tm Tm8 1 0.20931416 0.41269897 0.61635888 1.0 Tm Tm9 1 0.20997650 0.58774402 0.11887373 1.0 Tm Tm10 1 0.79002350 0.41225598 0.11887373 1.0 Tm Tm11 1 0.79068584 0.58730103 0.61635888 1.0 Tm Tm12 1 0.91225598 0.70997650 0.11887373 1.0 Tm Tm13 1 0.91269897 0.29068584 0.61635888 1.0 Tm Tm14 1 0.08730103 0.70931416 0.61635888 1.0 Tm Tm15 1 0.08774402 0.29002350 0.11887373 1.0 Lu Lu16 1 0.00000000 0.00000000 0.50047901 1.0 Lu Lu17 1 0.00000000 0.00000000 0.00000589 1.0 Lu Lu18 1 0.50000000 0.50000000 0.00000589 1.0 Lu Lu19 1 0.50000000 0.50000000 0.50047901 1.0 Ir Ir20 1 0.84602776 0.15226435 0.24991196 1.0 Ir Ir21 1 0.84655412 0.84694327 0.74994439 1.0 Ir Ir22 1 0.15344588 0.15305673 0.74994439 1.0 Ir Ir23 1 0.15397224 0.84773565 0.24991196 1.0 Ir Ir24 1 0.65305673 0.34655412 0.74994439 1.0 Ir Ir25 1 0.65226435 0.65397224 0.24991196 1.0 Ir Ir26 1 0.34773565 0.34602776 0.24991196 1.0 Ir Ir27 1 0.34694327 0.65344588 0.74994439 1.0 Ir Ir28 1 0.00000000 0.50000000 0.36894718 1.0 Rh Rh29 1 0.50000000 0.00000000 0.13157332 1.0 Rh Rh30 1 0.50000000 0.00000000 0.63204723 1.0 Rh Rh31 1 0.00000000 0.50000000 0.87015749 1.0