# generated using pymatgen data_Tm5Mg3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70745440 _cell_length_b 12.70745383 _cell_length_c 3.93830393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999892 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Mg3(P3Ir4)4 _chemical_formula_sum 'Tm5 Mg3 P12 Ir16' _cell_volume 550.75311887 _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 0.81001830 0.00000000 1.0 Tm Tm3 1 0.18998170 0.18998170 0.00000000 1.0 Tm Tm4 1 0.81001830 1.00000000 0.00000000 1.0 Mg Mg5 1 1.00000000 0.44404899 0.50000000 1.0 Mg Mg6 1 0.55595101 0.55595101 0.50000000 1.0 Mg Mg7 1 0.44404899 0.00000000 0.50000000 1.0 P P8 1 1.00000000 0.64092398 0.50000000 1.0 P P9 1 0.35907602 0.35907602 0.50000000 1.0 P P10 1 0.64092398 0.00000000 0.50000000 1.0 P P11 1 0.51652063 0.68931019 0.00000000 1.0 P P12 1 0.31068981 0.82721044 0.00000000 1.0 P P13 1 0.17278956 0.48347937 0.00000000 1.0 P P14 1 0.48347937 0.17278956 0.00000000 1.0 P P15 1 0.68931019 0.51652063 0.00000000 1.0 P P16 1 0.82721044 0.31068981 0.00000000 1.0 P P17 1 0.00000000 0.17617264 0.50000000 1.0 P P18 1 0.82382736 0.82382736 0.50000000 1.0 P P19 1 0.17617264 1.00000000 0.50000000 1.0 Ir Ir20 1 0.50657604 0.86695331 0.00000000 1.0 Ir Ir21 1 0.13304669 0.63962473 0.00000000 1.0 Ir Ir22 1 0.36037527 0.49342396 0.00000000 1.0 Ir Ir23 1 0.49342396 0.36037527 0.00000000 1.0 Ir Ir24 1 0.86695331 0.50657604 0.00000000 1.0 Ir Ir25 1 0.63962473 0.13304669 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27781578 0.00000000 1.0 Ir Ir27 1 0.72218422 0.72218422 0.00000000 1.0 Ir Ir28 1 0.27781578 0.00000000 0.00000000 1.0 Ir Ir29 1 0.63006280 0.80905338 0.50000000 1.0 Ir Ir30 1 0.19094662 0.82100942 0.50000000 1.0 Ir Ir31 1 0.17899058 0.36993720 0.50000000 1.0 Ir Ir32 1 0.36993720 0.17899058 0.50000000 1.0 Ir Ir33 1 0.80905338 0.63006280 0.50000000 1.0 Ir Ir34 1 0.82100942 0.19094662 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0