# generated using pymatgen data_LiBe(B3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82004261 _cell_length_b 2.85220633 _cell_length_c 21.67679322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe(B3Ir4)2 _chemical_formula_sum 'Li1 Be1 B6 Ir8' _cell_volume 174.35389084 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Be Be1 1 0.50000000 0.00000000 0.50000000 1.0 B B2 1 0.50000000 0.00000000 0.38653732 1.0 B B3 1 0.00000000 0.00000000 0.11343728 1.0 B B4 1 0.00000000 0.00000000 0.88656272 1.0 B B5 1 0.00000000 0.50000000 0.24041270 1.0 B B6 1 0.00000000 0.50000000 0.75958730 1.0 B B7 1 0.50000000 0.00000000 0.61346268 1.0 Ir Ir8 1 0.50000000 0.50000000 0.92424468 1.0 Ir Ir9 1 0.50000000 0.00000000 0.19508576 1.0 Ir Ir10 1 0.00000000 0.00000000 0.68631336 1.0 Ir Ir11 1 0.50000000 0.00000000 0.80491424 1.0 Ir Ir12 1 0.50000000 0.50000000 0.07575532 1.0 Ir Ir13 1 0.00000000 0.00000000 0.31368664 1.0 Ir Ir14 1 0.00000000 0.50000000 0.43297907 1.0 Ir Ir15 1 0.00000000 0.50000000 0.56702093 1.0