# generated using pymatgen data_Be46Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17684759 _cell_length_b 4.17684759 _cell_length_c 33.02418000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999347 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be46Ir7 _chemical_formula_sum 'Be46 Ir7' _cell_volume 498.95336919 _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 Be Be0 1 0.33333300 0.66666700 0.12504900 1.0 Be Be1 1 0.33333300 0.66666700 0.45832700 1.0 Be Be2 1 0.33333300 0.66666700 0.79163600 1.0 Be Be3 1 0.33333300 0.66666700 0.20798000 1.0 Be Be4 1 0.33333300 0.66666700 0.54134700 1.0 Be Be5 1 0.33333300 0.66666700 0.87558800 1.0 Be Be6 1 0.66666700 0.33333300 0.11407600 1.0 Be Be7 1 0.66666700 0.33333300 0.44749400 1.0 Be Be8 1 0.66666700 0.33333300 0.78139300 1.0 Be Be9 1 0.66666700 0.33333300 0.21902500 1.0 Be Be10 1 0.66666700 0.33333300 0.55214400 1.0 Be Be11 1 0.66666700 0.33333300 0.88595500 1.0 Be Be12 1 0.00274500 0.50137200 0.06111800 1.0 Be Be13 1 0.00096400 0.50048200 0.39388800 1.0 Be Be14 1 0.00582000 0.50291000 0.72971100 1.0 Be Be15 1 0.49862800 0.99725500 0.06111800 1.0 Be Be16 1 0.49951800 0.99903600 0.39388800 1.0 Be Be17 1 0.49709000 0.99418000 0.72971100 1.0 Be Be18 1 0.49862800 0.50137200 0.06111800 1.0 Be Be19 1 0.49951800 0.50048200 0.39388800 1.0 Be Be20 1 0.49709000 0.50291000 0.72971100 1.0 Be Be21 1 0.00113300 0.50056700 0.27277400 1.0 Be Be22 1 0.00533900 0.50266900 0.60372100 1.0 Be Be23 1 0.00292400 0.50146200 0.93895800 1.0 Be Be24 1 0.49943300 0.99886700 0.27277400 1.0 Be Be25 1 0.49733100 0.99466100 0.60372100 1.0 Be Be26 1 0.49853800 0.99707600 0.93895800 1.0 Be Be27 1 0.49943300 0.50056700 0.27277400 1.0 Be Be28 1 0.49733100 0.50266900 0.60372100 1.0 Be Be29 1 0.49853800 0.50146200 0.93895800 1.0 Be Be30 1 0.00000000 0.00000000 0.03285500 1.0 Be Be31 1 0.00000000 0.00000000 0.36528100 1.0 Be Be32 1 0.00000000 0.00000000 0.69852900 1.0 Be Be33 1 0.00000000 0.00000000 0.30134300 1.0 Be Be34 1 0.00000000 0.00000000 0.63486800 1.0 Be Be35 1 0.00000000 0.00000000 0.96688100 1.0 Be Be36 1 0.32675500 0.16337700 0.16661200 1.0 Be Be37 1 0.32670200 0.16335100 0.49997600 1.0 Be Be38 1 0.32681200 0.16340600 0.83336300 1.0 Be Be39 1 0.83662300 0.67324500 0.16661200 1.0 Be Be40 1 0.83664900 0.67329800 0.49997600 1.0 Be Be41 1 0.83659400 0.67318800 0.83336300 1.0 Be Be42 1 0.83662300 0.16337700 0.16661200 1.0 Be Be43 1 0.83664900 0.16335100 0.49997600 1.0 Be Be44 1 0.83659400 0.16340600 0.83336300 1.0 Be Be45 1 0.66666700 0.33333300 0.33330400 1.0 Ir Ir46 1 0.00000000 0.00000000 0.10341100 1.0 Ir Ir47 1 0.00000000 0.00000000 0.43624000 1.0 Ir Ir48 1 0.00000000 0.00000000 0.77021600 1.0 Ir Ir49 1 0.00000000 0.00000000 0.23051500 1.0 Ir Ir50 1 0.00000000 0.00000000 0.56306800 1.0 Ir Ir51 1 0.00000000 0.00000000 0.89641300 1.0 Ir Ir52 1 0.33333300 0.66666700 0.66669800 1.0