# generated using pymatgen data_Y6NiP12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96905006 _cell_length_b 11.04294792 _cell_length_c 12.69474970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y6NiP12Ir17 _chemical_formula_sum 'Y6 Ni1 P12 Ir17' _cell_volume 556.41104571 _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 Y Y0 1 0.00000000 0.50000000 0.52345641 1.0 Y Y1 1 0.50000000 0.00000000 0.47418844 1.0 Y Y2 1 0.50000000 0.81948754 0.20524009 1.0 Y Y3 1 0.50000000 0.18051246 0.20524009 1.0 Y Y4 1 0.00000000 0.68536940 0.79596212 1.0 Y Y5 1 0.00000000 0.31463060 0.79596212 1.0 Ni Ni6 1 0.50000000 0.00000000 0.01963167 1.0 P P7 1 0.50000000 0.31603070 0.61863214 1.0 P P8 1 0.50000000 0.68396930 0.61863214 1.0 P P9 1 0.00000000 0.18456429 0.38197801 1.0 P P10 1 0.00000000 0.81543571 0.38197801 1.0 P P11 1 0.50000000 0.50000000 0.88003644 1.0 P P12 1 0.00000000 0.00000000 0.12632218 1.0 P P13 1 0.50000000 0.85250259 0.89385299 1.0 P P14 1 0.50000000 0.14749741 0.89385299 1.0 P P15 1 0.00000000 0.66102463 0.10512782 1.0 P P16 1 0.00000000 0.33897537 0.10512782 1.0 P P17 1 0.50000000 0.50000000 0.35847771 1.0 P P18 1 0.00000000 0.00000000 0.63873146 1.0 Ir Ir19 1 0.00000000 0.50000000 0.98012313 1.0 Ir Ir20 1 0.50000000 0.29982816 0.43045013 1.0 Ir Ir21 1 0.50000000 0.70017184 0.43045013 1.0 Ir Ir22 1 0.00000000 0.20400230 0.56897692 1.0 Ir Ir23 1 0.00000000 0.79599770 0.56897692 1.0 Ir Ir24 1 0.50000000 0.87018120 0.71227444 1.0 Ir Ir25 1 0.50000000 0.12981880 0.71227444 1.0 Ir Ir26 1 0.00000000 0.63088636 0.28415724 1.0 Ir Ir27 1 0.00000000 0.36911364 0.28415724 1.0 Ir Ir28 1 0.50000000 0.33052945 0.99806487 1.0 Ir Ir29 1 0.50000000 0.66947055 0.99806487 1.0 Ir Ir30 1 0.00000000 0.15505994 0.00372994 1.0 Ir Ir31 1 0.00000000 0.84494006 0.00372994 1.0 Ir Ir32 1 0.50000000 0.50000000 0.17959311 1.0 Ir Ir33 1 0.00000000 0.00000000 0.81755180 1.0 Ir Ir34 1 0.50000000 0.50000000 0.70348235 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30150791 1.0