# generated using pymatgen data_LuP2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93515283 _cell_length_b 11.10691762 _cell_length_c 12.63367224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuP2Ir3 _chemical_formula_sum 'Lu6 P12 Ir18' _cell_volume 552.18519694 _cell_formula_units_Z 6 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 0.00000000 0.50000000 0.52359223 1.0 Lu Lu1 1 0.50000000 0.00000000 0.47640777 1.0 Lu Lu2 1 0.50000000 0.81665255 0.20599063 1.0 Lu Lu3 1 0.50000000 0.18334745 0.20599063 1.0 Lu Lu4 1 0.00000000 0.68334745 0.79400937 1.0 Lu Lu5 1 0.00000000 0.31665255 0.79400937 1.0 P P6 1 0.50000000 0.50000000 0.87414612 1.0 P P7 1 0.00000000 0.00000000 0.12585388 1.0 P P8 1 0.50000000 0.50000000 0.36349465 1.0 P P9 1 0.00000000 0.00000000 0.63650535 1.0 P P10 1 0.50000000 0.31603211 0.61759105 1.0 P P11 1 0.50000000 0.68396789 0.61759105 1.0 P P12 1 0.00000000 0.18396789 0.38240895 1.0 P P13 1 0.00000000 0.81603211 0.38240895 1.0 P P14 1 0.50000000 0.84299827 0.89315074 1.0 P P15 1 0.50000000 0.15700173 0.89315074 1.0 P P16 1 0.00000000 0.65700173 0.10684926 1.0 P P17 1 0.00000000 0.34299827 0.10684926 1.0 Ir Ir18 1 0.50000000 0.50000000 0.18393227 1.0 Ir Ir19 1 0.00000000 0.00000000 0.81606773 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69777605 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30222395 1.0 Ir Ir22 1 0.00000000 0.50000000 0.96873562 1.0 Ir Ir23 1 0.50000000 0.00000000 0.03126438 1.0 Ir Ir24 1 0.50000000 0.33657673 0.00340292 1.0 Ir Ir25 1 0.50000000 0.66342327 0.00340292 1.0 Ir Ir26 1 0.00000000 0.16342327 0.99659708 1.0 Ir Ir27 1 0.00000000 0.83657673 0.99659708 1.0 Ir Ir28 1 0.50000000 0.29694626 0.43032274 1.0 Ir Ir29 1 0.50000000 0.70305374 0.43032274 1.0 Ir Ir30 1 0.00000000 0.20305374 0.56967726 1.0 Ir Ir31 1 0.00000000 0.79694626 0.56967726 1.0 Ir Ir32 1 0.50000000 0.86591969 0.71476970 1.0 Ir Ir33 1 0.50000000 0.13408031 0.71476970 1.0 Ir Ir34 1 0.00000000 0.63408031 0.28523030 1.0 Ir Ir35 1 0.00000000 0.36591969 0.28523030 1.0