# generated using pymatgen data_Lu5Nb2P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.46526189 _cell_length_b 12.69176440 _cell_length_c 3.95860306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.41138313 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Nb2P12Ir17 _chemical_formula_sum 'Lu5 Nb2 P12 Ir17' _cell_volume 545.55870205 _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 Lu Lu0 1 0.32920135 0.65931279 0.50000000 1.0 Lu Lu1 1 0.66988956 0.34068721 0.50000000 1.0 Lu Lu2 1 0.99839030 0.81615418 0.00000000 1.0 Lu Lu3 1 0.18223611 0.18384582 0.00000000 1.0 Lu Lu4 1 0.81772362 0.00000000 0.00000000 1.0 Nb Nb5 1 0.99711385 0.45051669 0.50000000 1.0 Nb Nb6 1 0.54659716 0.54948331 0.50000000 1.0 P P7 1 0.00377100 0.64433575 0.50000000 1.0 P P8 1 0.35943525 0.35566425 0.50000000 1.0 P P9 1 0.64804791 1.00000000 0.50000000 1.0 P P10 1 0.51370080 0.68351051 0.00000000 1.0 P P11 1 0.30920783 0.82369092 0.00000000 1.0 P P12 1 0.16251432 0.48145487 0.00000000 1.0 P P13 1 0.48551691 0.17630908 0.00000000 1.0 P P14 1 0.68105945 0.51854513 0.00000000 1.0 P P15 1 0.83019029 0.31648949 0.00000000 1.0 P P16 1 0.99986556 0.17388487 0.50000000 1.0 P P17 1 0.82597969 0.82611513 0.50000000 1.0 P P18 1 0.18074801 1.00000000 0.50000000 1.0 Ir Ir19 1 0.50389775 0.86173605 0.00000000 1.0 Ir Ir20 1 0.12851417 0.64229758 0.00000000 1.0 Ir Ir21 1 0.35341178 0.49544020 0.00000000 1.0 Ir Ir22 1 0.48621760 0.35770242 0.00000000 1.0 Ir Ir23 1 0.85797458 0.50455980 0.00000000 1.0 Ir Ir24 1 0.64216270 0.13826395 0.00000000 1.0 Ir Ir25 1 0.46653040 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99739193 0.28239453 0.00000000 1.0 Ir Ir27 1 0.71499640 0.71760547 0.00000000 1.0 Ir Ir28 1 0.29210953 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62673659 0.80910125 0.50000000 1.0 Ir Ir30 1 0.20056660 0.82379752 0.50000000 1.0 Ir Ir31 1 0.17760892 0.36491938 0.50000000 1.0 Ir Ir32 1 0.37676908 0.17620248 0.50000000 1.0 Ir Ir33 1 0.81268954 0.63508062 0.50000000 1.0 Ir Ir34 1 0.81763634 0.19089875 0.50000000 1.0 Ir Ir35 1 0.00359714 0.00000000 0.50000000 1.0