# generated using pymatgen data_Tm5Nb2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.47856653 _cell_length_b 12.70005820 _cell_length_c 3.97043564 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.42474014 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Nb2P12Ir17 _chemical_formula_sum 'Tm5 Nb2 P12 Ir17' _cell_volume 548.05936521 _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 0.32929478 0.65979364 0.50000000 1.0 Tm Tm1 1 0.66950114 0.34020636 0.50000000 1.0 Tm Tm2 1 0.99893547 0.81508363 0.00000000 1.0 Tm Tm3 1 0.18385184 0.18491637 0.00000000 1.0 Tm Tm4 1 0.81655309 0.00000000 0.00000000 1.0 Nb Nb5 1 0.99711434 0.45029149 0.50000000 1.0 Nb Nb6 1 0.54682285 0.54970851 0.50000000 1.0 P P7 1 0.00358838 0.64357863 0.50000000 1.0 P P8 1 0.36000875 0.35642137 0.50000000 1.0 P P9 1 0.64742756 0.00000000 0.50000000 1.0 P P10 1 0.51411586 0.68382275 0.00000000 1.0 P P11 1 0.30884797 0.82370851 0.00000000 1.0 P P12 1 0.16270067 0.48111311 0.00000000 1.0 P P13 1 0.48513946 0.17629149 0.00000000 1.0 P P14 1 0.68158756 0.51888689 0.00000000 1.0 P P15 1 0.83029311 0.31617725 0.00000000 1.0 P P16 1 0.00003492 0.17432124 0.50000000 1.0 P P17 1 0.82571268 0.82567876 0.50000000 1.0 P P18 1 0.18084868 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50413641 0.86250271 0.00000000 1.0 Ir Ir20 1 0.12796541 0.64173473 0.00000000 1.0 Ir Ir21 1 0.35408249 0.49537604 0.00000000 1.0 Ir Ir22 1 0.48623168 0.35826527 0.00000000 1.0 Ir Ir23 1 0.85870946 0.50462396 0.00000000 1.0 Ir Ir24 1 0.64163470 0.13749729 0.00000000 1.0 Ir Ir25 1 0.46624983 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99733348 0.28194509 0.00000000 1.0 Ir Ir27 1 0.71538739 0.71805491 0.00000000 1.0 Ir Ir28 1 0.29138390 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62564074 0.80820961 0.50000000 1.0 Ir Ir30 1 0.20139585 0.82390368 0.50000000 1.0 Ir Ir31 1 0.17760154 0.36610708 0.50000000 1.0 Ir Ir32 1 0.37749116 0.17609632 0.50000000 1.0 Ir Ir33 1 0.81149245 0.63389292 0.50000000 1.0 Ir Ir34 1 0.81743114 0.19179039 0.50000000 1.0 Ir Ir35 1 0.00345527 0.00000000 0.50000000 1.0