# generated using pymatgen data_PaBe12Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36161330 _cell_length_b 7.49583772 _cell_length_c 7.32949044 _cell_angle_alpha 59.53228552 _cell_angle_beta 59.58103597 _cell_angle_gamma 59.10968936 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaBe12Ir _chemical_formula_sum 'Pa2 Be24 Ir2' _cell_volume 282.12422895 _cell_formula_units_Z 2 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 0.24869429 0.25131593 0.24867444 1.0 Pa Pa1 1 0.75130571 0.74868407 0.75132556 1.0 Be Be2 1 0.50000000 0.50000000 0.50000000 1.0 Be Be3 1 0.00000000 0.00000000 0.00000000 1.0 Be Be4 1 0.56846623 0.78785155 0.43155886 1.0 Be Be5 1 0.43153377 0.21214845 0.56844114 1.0 Be Be6 1 0.29666757 0.93791962 0.70333370 1.0 Be Be7 1 0.70333243 0.06208038 0.29666630 1.0 Be Be8 1 0.93099572 0.27283217 0.06899736 1.0 Be Be9 1 0.06900428 0.72716783 0.93100264 1.0 Be Be10 1 0.20157487 0.80897092 0.55399700 1.0 Be Be11 1 0.79842513 0.19102908 0.44600300 1.0 Be Be12 1 0.44599976 0.56455065 0.79839973 1.0 Be Be13 1 0.55400024 0.43544935 0.20160027 1.0 Be Be14 1 0.71144890 0.27848318 0.93783759 1.0 Be Be15 1 0.28855110 0.72151682 0.06216241 1.0 Be Be16 1 0.06214439 0.92781567 0.28852995 1.0 Be Be17 1 0.93785561 0.07218433 0.71147005 1.0 Be Be18 1 0.56223098 0.20096168 0.79639550 1.0 Be Be19 1 0.43776902 0.79903832 0.20360450 1.0 Be Be20 1 0.79646738 0.44039924 0.56222283 1.0 Be Be21 1 0.20353262 0.55960076 0.43777717 1.0 Be Be22 1 0.93850739 0.71390680 0.28920670 1.0 Be Be23 1 0.06149261 0.28609320 0.71079330 1.0 Be Be24 1 0.28923048 0.05837625 0.93848132 1.0 Be Be25 1 0.71076952 0.94162375 0.06151868 1.0 Ir Ir26 1 0.80659133 0.55287884 0.19341765 1.0 Ir Ir27 1 0.19340867 0.44712116 0.80658235 1.0