# generated using pymatgen data_Tm5Lu3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.85336353 _cell_length_b 12.85336345 _cell_length_c 3.94623251 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Lu3(P3Ir4)4 _chemical_formula_sum 'Tm5 Lu3 P12 Ir16' _cell_volume 564.60780825 _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 0.33333300 0.66666700 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 0.00000000 0.81444074 0.00000000 1.0 Tm Tm3 1 0.18555926 0.18555926 0.00000000 1.0 Tm Tm4 1 0.81444074 0.00000000 0.00000000 1.0 Lu Lu5 1 1.00000000 0.44540411 0.50000000 1.0 Lu Lu6 1 0.55459589 0.55459589 0.50000000 1.0 Lu Lu7 1 0.44540411 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.65204057 0.50000000 1.0 P P9 1 0.34795943 0.34795943 0.50000000 1.0 P P10 1 0.65204057 0.00000000 0.50000000 1.0 P P11 1 0.51695034 0.68961177 0.00000000 1.0 P P12 1 0.31038823 0.82733856 0.00000000 1.0 P P13 1 0.17266144 0.48304966 0.00000000 1.0 P P14 1 0.48304966 0.17266144 0.00000000 1.0 P P15 1 0.68961177 0.51695034 0.00000000 1.0 P P16 1 0.82733856 0.31038823 0.00000000 1.0 P P17 1 0.00000000 0.17539722 0.50000000 1.0 P P18 1 0.82460278 0.82460278 0.50000000 1.0 P P19 1 0.17539722 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50602516 0.86519720 0.00000000 1.0 Ir Ir21 1 0.13480280 0.64082896 0.00000000 1.0 Ir Ir22 1 0.35917104 0.49397484 0.00000000 1.0 Ir Ir23 1 0.49397484 0.35917104 0.00000000 1.0 Ir Ir24 1 0.86519720 0.50602516 0.00000000 1.0 Ir Ir25 1 0.64082896 0.13480280 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27366696 0.00000000 1.0 Ir Ir27 1 0.72633304 0.72633304 0.00000000 1.0 Ir Ir28 1 0.27366696 0.00000000 0.00000000 1.0 Ir Ir29 1 0.63097609 0.81009384 0.50000000 1.0 Ir Ir30 1 0.18990616 0.82088225 0.50000000 1.0 Ir Ir31 1 0.17911775 0.36902391 0.50000000 1.0 Ir Ir32 1 0.36902391 0.17911775 0.50000000 1.0 Ir Ir33 1 0.81009384 0.63097609 0.50000000 1.0 Ir Ir34 1 0.82088225 0.18990616 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0