# generated using pymatgen data_Sc6Si11Ni18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.56579970 _cell_length_b 11.56579970 _cell_length_c 11.56579970 _cell_angle_alpha 139.40057314 _cell_angle_beta 116.17759078 _cell_angle_gamma 78.43773641 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Si11Ni18 _chemical_formula_sum 'Sc12 Si22 Ni36' _cell_volume 879.25468758 _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 Sc Sc0 1 0.81017600 0.31017600 0.50000000 1.0 Sc Sc1 1 0.18982400 0.68982400 0.50000000 1.0 Sc Sc2 1 0.46854200 0.28495100 0.18359100 1.0 Sc Sc3 1 0.37025500 0.87025500 0.50000000 1.0 Sc Sc4 1 0.53145800 0.71504900 0.81640900 1.0 Sc Sc5 1 0.62974500 0.12974500 0.50000000 1.0 Sc Sc6 1 0.18245300 0.79597600 0.97843000 1.0 Sc Sc7 1 0.89864000 0.71504900 0.18359100 1.0 Sc Sc8 1 0.81754700 0.20402400 0.02157000 1.0 Sc Sc9 1 0.10136000 0.28495100 0.81640900 1.0 Sc Sc10 1 0.18245300 0.20402400 0.38647700 1.0 Sc Sc11 1 0.81754700 0.79597600 0.61352300 1.0 Si Si12 1 0.33165800 0.50963800 0.17798000 1.0 Si Si13 1 0.50000000 0.76735200 0.26735200 1.0 Si Si14 1 0.67504600 0.10087400 0.08973700 1.0 Si Si15 1 0.67449200 0.50000000 0.17449200 1.0 Si Si16 1 0.16665100 0.88342400 0.28322700 1.0 Si Si17 1 0.33165800 0.15367800 0.82202000 1.0 Si Si18 1 0.01113600 0.10087400 0.42582700 1.0 Si Si19 1 0.60019700 0.88342400 0.71677300 1.0 Si Si20 1 0.32495400 0.41469100 0.42582700 1.0 Si Si21 1 0.39980300 0.11657600 0.28322700 1.0 Si Si22 1 0.66834200 0.84632200 0.17798000 1.0 Si Si23 1 0.50000000 0.23264800 0.73264800 1.0 Si Si24 1 0.67504600 0.58530900 0.57417300 1.0 Si Si25 1 0.00000000 0.00000000 0.00000000 1.0 Si Si26 1 0.32495400 0.89912600 0.91026300 1.0 Si Si27 1 0.98886400 0.41469100 0.08973700 1.0 Si Si28 1 0.66834200 0.49036200 0.82202000 1.0 Si Si29 1 0.83334900 0.11657600 0.71677300 1.0 Si Si30 1 0.00000000 0.50000000 0.50000000 1.0 Si Si31 1 0.98886400 0.89912600 0.57417300 1.0 Si Si32 1 0.01113600 0.58530900 0.91026300 1.0 Si Si33 1 0.32550800 0.50000000 0.82550800 1.0 Ni Ni34 1 0.26801200 0.63832200 0.07495800 1.0 Ni Ni35 1 0.43663600 0.80694600 0.07495800 1.0 Ni Ni36 1 0.98721000 0.88685100 0.10035900 1.0 Ni Ni37 1 0.21350800 0.11314900 0.10035900 1.0 Ni Ni38 1 0.73198800 0.80694600 0.37031000 1.0 Ni Ni39 1 0.43663600 0.36167800 0.62969000 1.0 Ni Ni40 1 0.20980200 0.37684300 0.16704100 1.0 Ni Ni41 1 0.56336400 0.63832200 0.37031000 1.0 Ni Ni42 1 0.20980200 0.04276000 0.83295900 1.0 Ni Ni43 1 0.61821600 0.00000000 0.61821600 1.0 Ni Ni44 1 0.01279000 0.11314900 0.89964100 1.0 Ni Ni45 1 0.09307200 0.42060200 0.67246900 1.0 Ni Ni46 1 0.07561000 0.80607600 0.73046600 1.0 Ni Ni47 1 0.56884900 0.56884900 0.00000000 1.0 Ni Ni48 1 0.12654000 0.61272300 0.17486000 1.0 Ni Ni49 1 0.26801200 0.19305400 0.62969000 1.0 Ni Ni50 1 0.38178400 0.00000000 0.38178400 1.0 Ni Ni51 1 0.90692800 0.57939800 0.32753100 1.0 Ni Ni52 1 0.79019800 0.62315700 0.83295900 1.0 Ni Ni53 1 0.78649200 0.88685100 0.89964100 1.0 Ni Ni54 1 0.43786200 0.61272300 0.48618300 1.0 Ni Ni55 1 0.25186700 0.57939800 0.67246900 1.0 Ni Ni56 1 0.43786200 0.95167900 0.82514000 1.0 Ni Ni57 1 0.79019800 0.95724000 0.16704100 1.0 Ni Ni58 1 0.43115100 0.43115100 0.00000000 1.0 Ni Ni59 1 0.87346000 0.04832100 0.48618300 1.0 Ni Ni60 1 0.92439000 0.19392400 0.26953400 1.0 Ni Ni61 1 0.56336400 0.19305400 0.92504200 1.0 Ni Ni62 1 0.56213800 0.04832100 0.17486000 1.0 Ni Ni63 1 0.56213800 0.38727700 0.51381700 1.0 Ni Ni64 1 0.73198800 0.36167800 0.92504200 1.0 Ni Ni65 1 0.12654000 0.95167900 0.51381700 1.0 Ni Ni66 1 0.07561000 0.34514400 0.26953400 1.0 Ni Ni67 1 0.87346000 0.38727700 0.82514000 1.0 Ni Ni68 1 0.74813300 0.42060200 0.32753100 1.0 Ni Ni69 1 0.92439000 0.65485600 0.73046600 1.0