# generated using pymatgen data_Sc4Si7Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66006900 _cell_length_b 3.84392900 _cell_length_c 13.97263600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Si7Ni _chemical_formula_sum 'Sc4 Si7 Ni1' _cell_volume 196.58164984 _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 0.00000000 0.10894200 1.0 Sc Sc1 1 0.00000000 0.50000000 0.59455900 1.0 Sc Sc2 1 0.50000000 0.50000000 0.41462100 1.0 Sc Sc3 1 0.50000000 0.00000000 0.89850000 1.0 Si Si4 1 0.00000000 0.50000000 0.26749100 1.0 Si Si5 1 0.00000000 0.00000000 0.74203900 1.0 Si Si6 1 0.50000000 0.00000000 0.26910600 1.0 Si Si7 1 0.50000000 0.50000000 0.75080500 1.0 Si Si8 1 0.00000000 0.50000000 0.94403900 1.0 Si Si9 1 0.50000000 0.50000000 0.05562500 1.0 Si Si10 1 0.50000000 0.00000000 0.54663500 1.0 Ni Ni11 1 0.00000000 0.00000000 0.40763900 1.0