# generated using pymatgen data_Tm5Mn2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69294428 _cell_length_b 12.69294345 _cell_length_c 3.92454839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.72769276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Mn2P12Ir17 _chemical_formula_sum 'Tm5 Mn2 P12 Ir17' _cell_volume 543.51752025 _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 0.33073872 0.66841755 0.00000000 1.0 Tm Tm1 1 0.66841755 0.33073872 0.00000000 1.0 Tm Tm2 1 0.81240646 0.99898656 0.50000000 1.0 Tm Tm3 1 0.99898656 0.81240646 0.50000000 1.0 Tm Tm4 1 0.18567311 0.18567311 0.50000000 1.0 Mn Mn5 1 0.44986339 0.00124392 0.00000000 1.0 Mn Mn6 1 0.00124392 0.44986339 0.00000000 1.0 P P7 1 0.17681928 0.00056763 0.00000000 1.0 P P8 1 0.00056763 0.17681928 0.00000000 1.0 P P9 1 0.82164488 0.82164488 0.00000000 1.0 P P10 1 0.17183347 0.48549251 0.50000000 1.0 P P11 1 0.51574086 0.69206816 0.50000000 1.0 P P12 1 0.31335956 0.83216969 0.50000000 1.0 P P13 1 0.69206816 0.51574086 0.50000000 1.0 P P14 1 0.83216969 0.31335956 0.50000000 1.0 P P15 1 0.48549251 0.17183347 0.50000000 1.0 P P16 1 0.63892042 0.99789788 0.00000000 1.0 P P17 1 0.99789788 0.63892042 0.00000000 1.0 P P18 1 0.35675434 0.35675434 0.00000000 1.0 Ir Ir19 1 0.53771710 0.53771710 0.00000000 1.0 Ir Ir20 1 0.36148848 0.49649784 0.50000000 1.0 Ir Ir21 1 0.50903230 0.87059625 0.50000000 1.0 Ir Ir22 1 0.13674282 0.64121790 0.50000000 1.0 Ir Ir23 1 0.87059625 0.50903230 0.50000000 1.0 Ir Ir24 1 0.64121790 0.13674282 0.50000000 1.0 Ir Ir25 1 0.49649784 0.36148848 0.50000000 1.0 Ir Ir26 1 0.18379098 0.37531504 0.00000000 1.0 Ir Ir27 1 0.62372265 0.80082005 0.00000000 1.0 Ir Ir28 1 0.18950353 0.82139197 0.00000000 1.0 Ir Ir29 1 0.80082005 0.62372265 0.00000000 1.0 Ir Ir30 1 0.82139197 0.18950353 0.00000000 1.0 Ir Ir31 1 0.37531504 0.18379098 0.00000000 1.0 Ir Ir32 1 0.28498687 0.00296678 0.50000000 1.0 Ir Ir33 1 0.00296678 0.28498687 0.50000000 1.0 Ir Ir34 1 0.71399934 0.71399934 0.50000000 1.0 Ir Ir35 1 0.99960969 0.99960969 0.00000000 1.0