# generated using pymatgen data_Li2Nd5P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67564820 _cell_length_b 12.78931907 _cell_length_c 3.99038721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.70642183 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Nd5P12Ir17 _chemical_formula_sum 'Li2 Nd5 P12 Ir17' _cell_volume 561.87596152 _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 Li Li0 1 0.99774146 0.43823426 0.50000000 1.0 Li Li1 1 0.55950720 0.56176574 0.50000000 1.0 Nd Nd2 1 0.33182723 0.66231777 0.50000000 1.0 Nd Nd3 1 0.66951046 0.33768223 0.50000000 1.0 Nd Nd4 1 0.00337445 0.80845575 0.00000000 1.0 Nd Nd5 1 0.19491970 0.19154425 0.00000000 1.0 Nd Nd6 1 0.81104631 0.00000000 0.00000000 1.0 P P7 1 0.99684139 0.62361648 0.50000000 1.0 P P8 1 0.37322391 0.37638352 0.50000000 1.0 P P9 1 0.63762098 0.00000000 0.50000000 1.0 P P10 1 0.51589288 0.68529969 0.00000000 1.0 P P11 1 0.30486899 0.82186257 0.00000000 1.0 P P12 1 0.16435467 0.47761817 0.00000000 1.0 P P13 1 0.48300642 0.17813743 0.00000000 1.0 P P14 1 0.68673649 0.52238183 0.00000000 1.0 P P15 1 0.83059219 0.31470031 0.00000000 1.0 P P16 1 0.99833098 0.17955045 0.50000000 1.0 P P17 1 0.81878053 0.82044955 0.50000000 1.0 P P18 1 0.18123858 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50442351 0.86865326 0.00000000 1.0 Ir Ir20 1 0.12666438 0.63778250 0.00000000 1.0 Ir Ir21 1 0.35542292 0.48785445 0.00000000 1.0 Ir Ir22 1 0.48888289 0.36221750 0.00000000 1.0 Ir Ir23 1 0.86756847 0.51214555 0.00000000 1.0 Ir Ir24 1 0.63577025 0.13134674 0.00000000 1.0 Ir Ir25 1 0.45876878 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99594507 0.27840647 0.00000000 1.0 Ir Ir27 1 0.71753960 0.72159353 0.00000000 1.0 Ir Ir28 1 0.28957655 0.00000000 0.00000000 1.0 Ir Ir29 1 0.61974228 0.80516491 0.50000000 1.0 Ir Ir30 1 0.20524501 0.82528654 0.50000000 1.0 Ir Ir31 1 0.17651316 0.37227084 0.50000000 1.0 Ir Ir32 1 0.37995948 0.17471346 0.50000000 1.0 Ir Ir33 1 0.80424231 0.62772916 0.50000000 1.0 Ir Ir34 1 0.81457837 0.19483509 0.50000000 1.0 Ir Ir35 1 0.99974116 0.00000000 0.50000000 1.0