# generated using pymatgen data_Y5Tc6P12Ir13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.58317617 _cell_length_b 12.58317585 _cell_length_c 3.97777876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999825 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Tc6P12Ir13 _chemical_formula_sum 'Y5 Tc6 P12 Ir13' _cell_volume 545.44605712 _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 0.33333300 0.66666700 0.50000000 1.0 Y Y1 1 0.66666700 0.33333300 0.50000000 1.0 Y Y2 1 0.00048259 0.81255252 0.00000000 1.0 Y Y3 1 0.18744748 0.18793107 0.00000000 1.0 Y Y4 1 0.81206893 0.99951741 0.00000000 1.0 Tc Tc5 1 0.98950018 0.44613155 0.50000000 1.0 Tc Tc6 1 0.55386845 0.54336763 0.50000000 1.0 Tc Tc7 1 0.45663237 0.01049982 0.50000000 1.0 Tc Tc8 1 0.61973050 0.79834398 0.50000000 1.0 Tc Tc9 1 0.20165602 0.82138752 0.50000000 1.0 Tc Tc10 1 0.17861248 0.38026950 0.50000000 1.0 P P11 1 0.00757252 0.63842780 0.50000000 1.0 P P12 1 0.36157220 0.36914571 0.50000000 1.0 P P13 1 0.63085429 0.99242748 0.50000000 1.0 P P14 1 0.52177534 0.69428687 0.00000000 1.0 P P15 1 0.30571313 0.82748747 0.00000000 1.0 P P16 1 0.17251253 0.47822466 0.00000000 1.0 P P17 1 0.48237739 0.16769669 0.00000000 1.0 P P18 1 0.68531930 0.51762261 0.00000000 1.0 P P19 1 0.83230331 0.31468070 0.00000000 1.0 P P20 1 0.00404164 0.18314868 0.50000000 1.0 P P21 1 0.81685132 0.82089396 0.50000000 1.0 P P22 1 0.17910604 0.99595836 0.50000000 1.0 Ir Ir23 1 0.50684048 0.87502521 0.00000000 1.0 Ir Ir24 1 0.12497479 0.63181627 0.00000000 1.0 Ir Ir25 1 0.36818373 0.49315952 0.00000000 1.0 Ir Ir26 1 0.49376243 0.35746063 0.00000000 1.0 Ir Ir27 1 0.86369920 0.50623757 0.00000000 1.0 Ir Ir28 1 0.64253937 0.13630080 0.00000000 1.0 Ir Ir29 1 0.99506879 0.28174260 0.00000000 1.0 Ir Ir30 1 0.71825740 0.71332719 0.00000000 1.0 Ir Ir31 1 0.28667281 0.00493121 0.00000000 1.0 Ir Ir32 1 0.37373010 0.18517702 0.50000000 1.0 Ir Ir33 1 0.81144692 0.62626990 0.50000000 1.0 Ir Ir34 1 0.81482298 0.18855308 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0