# generated using pymatgen data_Ga3B4Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.99141987 _cell_length_b 8.99142023 _cell_length_c 5.72760904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999510 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3B4Ir9 _chemical_formula_sum 'Ga6 B8 Ir18' _cell_volume 401.01497728 _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 Ga Ga0 1 0.46256772 0.01259682 0.75000000 1.0 Ga Ga1 1 0.44996990 0.98740318 0.25000000 1.0 Ga Ga2 1 0.53743228 0.55003010 0.25000000 1.0 Ga Ga3 1 0.55003010 0.53743228 0.75000000 1.0 Ga Ga4 1 0.98740318 0.44996990 0.75000000 1.0 Ga Ga5 1 0.01259682 0.46256772 0.25000000 1.0 B B6 1 0.80721122 0.00000000 0.50000000 1.0 B B7 1 0.80721122 0.00000000 0.00000000 1.0 B B8 1 0.00000000 0.80721122 0.50000000 1.0 B B9 1 0.19278878 0.19278878 0.50000000 1.0 B B10 1 0.19278878 0.19278878 0.00000000 1.0 B B11 1 0.00000000 0.80721122 0.00000000 1.0 B B12 1 0.66666700 0.33333300 0.25000000 1.0 B B13 1 0.33333300 0.66666700 0.75000000 1.0 Ir Ir14 1 0.81155371 0.53632764 0.50154854 1.0 Ir Ir15 1 0.53632764 0.81155371 0.49845146 1.0 Ir Ir16 1 0.99596284 0.17826260 0.75000000 1.0 Ir Ir17 1 0.27522507 0.46367236 0.49845146 1.0 Ir Ir18 1 0.00403716 0.18230075 0.25000000 1.0 Ir Ir19 1 0.72477493 0.18844629 0.50154854 1.0 Ir Ir20 1 0.81769925 0.82173740 0.25000000 1.0 Ir Ir21 1 0.18844629 0.72477493 0.49845146 1.0 Ir Ir22 1 0.46367236 0.27522507 0.50154854 1.0 Ir Ir23 1 0.81155371 0.53632764 0.99845146 1.0 Ir Ir24 1 0.46367236 0.27522507 0.99845146 1.0 Ir Ir25 1 0.18230075 0.00403716 0.75000000 1.0 Ir Ir26 1 0.17826260 0.99596284 0.25000000 1.0 Ir Ir27 1 0.18844629 0.72477493 0.00154854 1.0 Ir Ir28 1 0.82173740 0.81769925 0.75000000 1.0 Ir Ir29 1 0.72477493 0.18844629 0.99845146 1.0 Ir Ir30 1 0.27522507 0.46367236 0.00154854 1.0 Ir Ir31 1 0.53632764 0.81155371 0.00154854 1.0