# generated using pymatgen data_Sc5Cu(B2Ir5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04151103 _cell_length_b 9.46671728 _cell_length_c 9.46671728 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Cu(B2Ir5)2 _chemical_formula_sum 'Sc5 Cu1 B4 Ir10' _cell_volume 272.57637465 _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 Sc Sc0 1 0.00000000 0.17552400 0.67800706 1.0 Sc Sc1 1 0.00000000 0.82447600 0.32199294 1.0 Sc Sc2 1 0.00000000 0.32199294 0.17552400 1.0 Sc Sc3 1 0.00000000 0.67800706 0.82447600 1.0 Sc Sc4 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.63166689 0.11753613 1.0 B B7 1 0.00000000 0.36833311 0.88246387 1.0 B B8 1 0.00000000 0.88246387 0.63166689 1.0 B B9 1 0.00000000 0.11753613 0.36833311 1.0 Ir Ir10 1 0.50000000 0.06563831 0.21451210 1.0 Ir Ir11 1 0.50000000 0.93436169 0.78548790 1.0 Ir Ir12 1 0.50000000 0.78548790 0.06563831 1.0 Ir Ir13 1 0.50000000 0.42605027 0.72366797 1.0 Ir Ir14 1 0.50000000 0.21451210 0.93436169 1.0 Ir Ir15 1 0.50000000 0.57394973 0.27633203 1.0 Ir Ir16 1 0.50000000 0.72366797 0.57394973 1.0 Ir Ir17 1 0.50000000 0.27633203 0.42605027 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.50000000 0.00000000 1.0