# generated using pymatgen data_Sc2NiB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34164385 _cell_length_b 9.34165331 _cell_length_c 3.01543189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99978723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NiB2Ir5 _chemical_formula_sum 'Sc4 Ni2 B4 Ir10' _cell_volume 263.14588003 _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 0.67647348 0.17648228 0.00000000 1.0 Sc Sc1 1 0.32352652 0.82351772 -0.00000000 1.0 Sc Sc2 1 0.17648341 0.32352596 0.00000000 1.0 Sc Sc3 1 0.82351659 0.67647404 -0.00000000 1.0 Ni Ni4 1 -0.00000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.12630311 0.62629274 -0.00000000 1.0 B B7 1 0.87369689 0.37370726 0.00000000 1.0 B B8 1 0.62629276 0.87369719 0.00000000 1.0 B B9 1 0.37370724 0.12630281 0.00000000 1.0 Ir Ir10 1 0.21433397 0.06927107 0.50000000 1.0 Ir Ir11 1 0.78566603 0.93072893 0.50000000 1.0 Ir Ir12 1 0.06926874 0.78566529 0.50000000 1.0 Ir Ir13 1 0.71429408 0.43076996 0.50000000 1.0 Ir Ir14 1 0.93073126 0.21433471 0.50000000 1.0 Ir Ir15 1 0.28570592 0.56923004 0.50000000 1.0 Ir Ir16 1 0.56923059 0.71429422 0.50000000 1.0 Ir Ir17 1 0.43076941 0.28570578 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 -0.00000000 0.50000000 0.50000000 1.0