# generated using pymatgen data_LaSc2NiIr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14252304 _cell_length_b 8.79805231 _cell_length_c 8.79805231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2NiIr8 _chemical_formula_sum 'La2 Sc4 Ni2 Ir16' _cell_volume 398.06072176 _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 La La0 1 0.00000000 0.50000000 0.50000000 1.0 La La1 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc2 1 0.00000000 0.62278475 0.12278475 1.0 Sc Sc3 1 0.00000000 0.37721525 0.87721525 1.0 Sc Sc4 1 0.00000000 0.87721525 0.62278475 1.0 Sc Sc5 1 0.00000000 0.12278475 0.37721525 1.0 Ni Ni6 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni7 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir8 1 0.75769585 0.17550784 0.67550784 1.0 Ir Ir9 1 0.75769585 0.82449216 0.32449216 1.0 Ir Ir10 1 0.75769585 0.32449216 0.17550784 1.0 Ir Ir11 1 0.75769585 0.67550784 0.82449216 1.0 Ir Ir12 1 0.24230415 0.82449216 0.32449216 1.0 Ir Ir13 1 0.24230415 0.17550784 0.67550784 1.0 Ir Ir14 1 0.24230415 0.67550784 0.82449216 1.0 Ir Ir15 1 0.24230415 0.32449216 0.17550784 1.0 Ir Ir16 1 0.50000000 0.70975634 0.56258190 1.0 Ir Ir17 1 0.50000000 0.29024366 0.43741810 1.0 Ir Ir18 1 0.50000000 0.79024366 0.06258190 1.0 Ir Ir19 1 0.50000000 0.20975634 0.93741810 1.0 Ir Ir20 1 0.50000000 0.56258190 0.29024366 1.0 Ir Ir21 1 0.50000000 0.43741810 0.70975634 1.0 Ir Ir22 1 0.50000000 0.06258190 0.20975634 1.0 Ir Ir23 1 0.50000000 0.93741810 0.79024366 1.0