# generated using pymatgen data_Sc3B2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05780769 _cell_length_b 9.58299453 _cell_length_c 9.58299453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3B2Ir5 _chemical_formula_sum 'Sc6 B4 Ir10' _cell_volume 280.81005141 _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 Sc Sc0 1 -0.00000000 0.17670761 0.67670761 1.0 Sc Sc1 1 0.00000000 0.82329239 0.32329239 1.0 Sc Sc2 1 -0.00000000 0.32329239 0.17670761 1.0 Sc Sc3 1 0.00000000 0.67670761 0.82329239 1.0 Sc Sc4 1 0.00000000 0.00000000 -0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.50000000 1.0 B B6 1 0.00000000 0.62233500 0.12233500 1.0 B B7 1 -0.00000000 0.37766500 0.87766500 1.0 B B8 1 -0.00000000 0.87766500 0.62233500 1.0 B B9 1 0.00000000 0.12233500 0.37766500 1.0 Ir Ir10 1 0.50000000 0.07032992 0.22271807 1.0 Ir Ir11 1 0.50000000 0.92967008 0.77728193 1.0 Ir Ir12 1 0.50000000 0.77728193 0.07032992 1.0 Ir Ir13 1 0.50000000 0.42967008 0.72271807 1.0 Ir Ir14 1 0.50000000 0.22271807 0.92967008 1.0 Ir Ir15 1 0.50000000 0.57032992 0.27728193 1.0 Ir Ir16 1 0.50000000 0.72271807 0.57032992 1.0 Ir Ir17 1 0.50000000 0.27728193 0.42967008 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.50000000 -0.00000000 1.0