# generated using pymatgen data_Lu2(B2Ir3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59137545 _cell_length_b 5.59137602 _cell_length_c 8.61176919 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000248 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2(B2Ir3)3 _chemical_formula_sum 'Lu2 B6 Ir9' _cell_volume 233.16338800 _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 Lu Lu0 1 0.00000000 0.00000000 0.70264189 1.0 Lu Lu1 1 0.00000000 0.00000000 0.29735811 1.0 B B2 1 0.66666700 0.33333300 0.00000000 1.0 B B3 1 0.33333300 0.66666700 0.00000000 1.0 B B4 1 0.66666700 0.33333300 0.66743102 1.0 B B5 1 0.33333300 0.66666700 0.66743102 1.0 B B6 1 0.33333300 0.66666700 0.33256898 1.0 B B7 1 0.66666700 0.33333300 0.33256898 1.0 Ir Ir8 1 0.50000000 0.50000000 0.83524327 1.0 Ir Ir9 1 0.50000000 0.00000000 0.83524327 1.0 Ir Ir10 1 0.00000000 0.50000000 0.83524327 1.0 Ir Ir11 1 0.50000000 0.50000000 0.16475673 1.0 Ir Ir12 1 0.50000000 0.00000000 0.16475673 1.0 Ir Ir13 1 0.00000000 0.50000000 0.16475673 1.0 Ir Ir14 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir15 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir16 1 0.00000000 0.50000000 0.50000000 1.0