# generated using pymatgen data_Lu3Si3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33583820 _cell_length_b 5.33583859 _cell_length_c 13.53245754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.17450742 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Si3Ni2 _chemical_formula_sum 'Lu6 Si6 Ni4' _cell_volume 271.60654429 _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 Lu Lu0 1 0.63275289 0.36724711 0.25000000 1.0 Lu Lu1 1 0.36724711 0.63275289 0.75000000 1.0 Lu Lu2 1 0.91232772 0.08767228 0.10978160 1.0 Lu Lu3 1 0.08767228 0.91232772 0.89021840 1.0 Lu Lu4 1 0.08767228 0.91232772 0.60978160 1.0 Lu Lu5 1 0.91232772 0.08767228 0.39021840 1.0 Si Si6 1 0.33243420 0.66756580 0.25000000 1.0 Si Si7 1 0.66756580 0.33243420 0.75000000 1.0 Si Si8 1 0.61858812 0.38141188 0.03804836 1.0 Si Si9 1 0.38141188 0.61858812 0.96195164 1.0 Si Si10 1 0.38141188 0.61858812 0.53804836 1.0 Si Si11 1 0.61858812 0.38141188 0.46195164 1.0 Ni Ni12 1 0.79640838 0.20359162 0.59656616 1.0 Ni Ni13 1 0.20359162 0.79640838 0.40343384 1.0 Ni Ni14 1 0.20359162 0.79640838 0.09656616 1.0 Ni Ni15 1 0.79640838 0.20359162 0.90343384 1.0