# generated using pymatgen data_LaScSiNi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91753365 _cell_length_b 4.92823935 _cell_length_c 8.20984829 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScSiNi9 _chemical_formula_sum 'La1 Sc1 Si1 Ni9' _cell_volume 158.50379312 _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 La La0 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Si Si2 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.00000000 0.50000000 0.34563076 1.0 Ni Ni4 1 0.00000000 0.00000000 0.82235933 1.0 Ni Ni5 1 0.00000000 0.00000000 0.17764067 1.0 Ni Ni6 1 0.00000000 0.50000000 0.65436924 1.0 Ni Ni7 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni8 1 0.50000000 0.76172570 0.26877941 1.0 Ni Ni9 1 0.50000000 0.23827430 0.73122059 1.0 Ni Ni10 1 0.50000000 0.23827430 0.26877941 1.0 Ni Ni11 1 0.50000000 0.76172570 0.73122059 1.0