# generated using pymatgen data_Pa4Al18CrIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56683161 _cell_length_b 7.56683257 _cell_length_c 9.28171943 _cell_angle_alpha 89.84876570 _cell_angle_beta 89.84876111 _cell_angle_gamma 118.90016322 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa4Al18CrIr5 _chemical_formula_sum 'Pa4 Al18 Cr1 Ir5' _cell_volume 465.25242411 _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 Pa Pa0 1 0.99545983 0.68508940 0.24669181 1.0 Pa Pa1 1 0.00454017 0.31491060 0.75330819 1.0 Pa Pa2 1 0.68508940 0.99545983 0.24669181 1.0 Pa Pa3 1 0.31491060 0.00454017 0.75330819 1.0 Al Al4 1 0.13775991 0.13775991 0.24782338 1.0 Al Al5 1 0.86224009 0.86224009 0.75217662 1.0 Al Al6 1 0.00694652 0.33878714 0.07720228 1.0 Al Al7 1 0.99305348 0.66121286 0.92279772 1.0 Al Al8 1 0.99663327 0.65873222 0.57741802 1.0 Al Al9 1 0.34126778 0.00336673 0.42258198 1.0 Al Al10 1 0.00336673 0.34126778 0.42258198 1.0 Al Al11 1 0.65873222 0.99663327 0.57741802 1.0 Al Al12 1 0.66121286 0.99305348 0.92279772 1.0 Al Al13 1 0.33878714 0.00694652 0.07720228 1.0 Al Al14 1 0.33511579 0.33511579 0.54373909 1.0 Al Al15 1 0.66488421 0.66488421 0.45626091 1.0 Al Al16 1 0.66642023 0.66642023 0.04225520 1.0 Al Al17 1 0.33357977 0.33357977 0.95774480 1.0 Al Al18 1 0.34577988 0.55419324 0.24987778 1.0 Al Al19 1 0.65422012 0.44580676 0.75012222 1.0 Al Al20 1 0.55419324 0.34577988 0.24987778 1.0 Al Al21 1 0.44580676 0.65422012 0.75012222 1.0 Cr Cr22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.67471285 0.32528715 1.00000000 1.0 Ir Ir24 1 0.32528715 0.67471285 0.00000000 1.0 Ir Ir25 1 0.32742302 0.67257698 0.50000000 1.0 Ir Ir26 1 0.67257698 0.32742302 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0