# generated using pymatgen data_Lu5Zr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81169861 _cell_length_b 12.81169847 _cell_length_c 3.91880932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Zr3(P3Ir4)4 _chemical_formula_sum 'Lu5 Zr3 P12 Ir16' _cell_volume 557.05513887 _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 0.81742884 0.00000000 0.50000000 1.0 Lu Lu3 1 0.00000000 0.81742884 0.50000000 1.0 Lu Lu4 1 0.18257116 0.18257116 0.50000000 1.0 Zr Zr5 1 0.44892833 0.00000000 0.00000000 1.0 Zr Zr6 1 1.00000000 0.44892833 0.00000000 1.0 Zr Zr7 1 0.55107167 0.55107167 0.00000000 1.0 P P8 1 0.17433186 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17433186 0.00000000 1.0 P P10 1 0.82566814 0.82566814 0.00000000 1.0 P P11 1 0.17114387 0.48249905 0.50000000 1.0 P P12 1 0.51750095 0.68864282 0.50000000 1.0 P P13 1 0.31135718 0.82885613 0.50000000 1.0 P P14 1 0.68864282 0.51750095 0.50000000 1.0 P P15 1 0.82885613 0.31135718 0.50000000 1.0 P P16 1 0.48249905 0.17114387 0.50000000 1.0 P P17 1 0.65281155 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65281155 0.00000000 1.0 P P19 1 0.34718845 0.34718845 0.00000000 1.0 Ir Ir20 1 0.35878454 0.49661113 0.50000000 1.0 Ir Ir21 1 0.50338887 0.86217340 0.50000000 1.0 Ir Ir22 1 0.13782660 0.64121546 0.50000000 1.0 Ir Ir23 1 0.86217340 0.50338887 0.50000000 1.0 Ir Ir24 1 0.64121546 0.13782660 0.50000000 1.0 Ir Ir25 1 0.49661113 0.35878454 0.50000000 1.0 Ir Ir26 1 0.17842437 0.36946846 0.00000000 1.0 Ir Ir27 1 0.63053154 0.80895691 0.00000000 1.0 Ir Ir28 1 0.19104309 0.82157563 0.00000000 1.0 Ir Ir29 1 0.80895691 0.63053154 0.00000000 1.0 Ir Ir30 1 0.82157563 0.19104309 0.00000000 1.0 Ir Ir31 1 0.36946846 0.17842437 0.00000000 1.0 Ir Ir32 1 0.27720295 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27720295 0.50000000 1.0 Ir Ir34 1 0.72279705 0.72279705 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0