# generated using pymatgen data_Sc6NiB4Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08741677 _cell_length_b 9.47253980 _cell_length_c 9.47253980 _cell_angle_alpha 89.28307209 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6NiB4Ir9 _chemical_formula_sum 'Sc6 Ni1 B4 Ir9' _cell_volume 277.00916421 _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 0.17606253 0.67606253 1.0 Sc Sc1 1 0.00000000 0.82393747 0.32393747 1.0 Sc Sc2 1 0.00000000 0.32085535 0.17914465 1.0 Sc Sc3 1 0.00000000 0.67914465 0.82085535 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.50000000 1.0 B B7 1 0.00000000 0.62114299 0.12114299 1.0 B B8 1 0.00000000 0.37885701 0.87885701 1.0 B B9 1 0.00000000 0.88692076 0.61307924 1.0 B B10 1 0.00000000 0.11307924 0.38692076 1.0 Ir Ir11 1 0.50000000 0.06375990 0.23105809 1.0 Ir Ir12 1 0.50000000 0.93624010 0.76894191 1.0 Ir Ir13 1 0.50000000 0.77772558 0.06953153 1.0 Ir Ir14 1 0.50000000 0.43046847 0.72227442 1.0 Ir Ir15 1 0.50000000 0.22227442 0.93046847 1.0 Ir Ir16 1 0.50000000 0.56953153 0.27772558 1.0 Ir Ir17 1 0.50000000 0.73105809 0.56375990 1.0 Ir Ir18 1 0.50000000 0.26894191 0.43624010 1.0 Ir Ir19 1 0.50000000 0.50000000 0.00000000 1.0