# generated using pymatgen data_Lu5Si6P6Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64580819 _cell_length_b 12.64580719 _cell_length_c 3.91951808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000005 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Si6P6Ir19 _chemical_formula_sum 'Lu5 Si6 P6 Ir19' _cell_volume 542.82076120 _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 0.33333300 0.66666700 0.00000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu2 1 0.81651151 1.00000000 0.50000000 1.0 Lu Lu3 1 0.00000000 0.81651151 0.50000000 1.0 Lu Lu4 1 0.18348849 0.18348849 0.50000000 1.0 Si Si5 1 0.16775838 0.48230593 0.50000000 1.0 Si Si6 1 0.51769407 0.68545145 0.50000000 1.0 Si Si7 1 0.31454855 0.83224162 0.50000000 1.0 Si Si8 1 0.68545145 0.51769407 0.50000000 1.0 Si Si9 1 0.83224162 0.31454855 0.50000000 1.0 Si Si10 1 0.48230593 0.16775838 0.50000000 1.0 P P11 1 0.17752706 1.00000000 0.00000000 1.0 P P12 1 0.00000000 0.17752706 0.00000000 1.0 P P13 1 0.82247294 0.82247294 0.00000000 1.0 P P14 1 0.63751814 0.00000000 0.00000000 1.0 P P15 1 1.00000000 0.63751814 0.00000000 1.0 P P16 1 0.36248186 0.36248186 0.00000000 1.0 Ir Ir17 1 0.45346367 1.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.45346367 0.00000000 1.0 Ir Ir19 1 0.54653633 0.54653633 0.00000000 1.0 Ir Ir20 1 0.35867259 0.48777236 0.50000000 1.0 Ir Ir21 1 0.51222764 0.87090023 0.50000000 1.0 Ir Ir22 1 0.12909977 0.64132741 0.50000000 1.0 Ir Ir23 1 0.87090023 0.51222764 0.50000000 1.0 Ir Ir24 1 0.64132741 0.12909977 0.50000000 1.0 Ir Ir25 1 0.48777236 0.35867259 0.50000000 1.0 Ir Ir26 1 0.18108308 0.37086618 0.00000000 1.0 Ir Ir27 1 0.62913382 0.81021890 0.00000000 1.0 Ir Ir28 1 0.18978110 0.81891692 0.00000000 1.0 Ir Ir29 1 0.81021890 0.62913382 0.00000000 1.0 Ir Ir30 1 0.81891692 0.18978110 0.00000000 1.0 Ir Ir31 1 0.37086618 0.18108308 0.00000000 1.0 Ir Ir32 1 0.27765687 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27765687 0.50000000 1.0 Ir Ir34 1 0.72234313 0.72234313 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0