# generated using pymatgen data_Th4Fe13Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23521200 _cell_length_b 8.23521200 _cell_length_c 12.05894600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Fe13Sn5 _chemical_formula_sum 'Th8 Fe26 Sn10' _cell_volume 817.82224229 _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 Th Th0 1 0.65530700 0.15530700 0.50000000 1.0 Th Th1 1 0.34469300 0.84469300 0.50000000 1.0 Th Th2 1 0.84469300 0.65530700 0.50000000 1.0 Th Th3 1 0.15530700 0.34469300 0.50000000 1.0 Th Th4 1 0.50000000 0.50000000 0.78423100 1.0 Th Th5 1 0.00000000 0.00000000 0.78423100 1.0 Th Th6 1 0.50000000 0.50000000 0.21576900 1.0 Th Th7 1 0.00000000 0.00000000 0.21576900 1.0 Fe Fe8 1 0.17596300 0.67596300 0.89361000 1.0 Fe Fe9 1 0.82403700 0.32403700 0.89361000 1.0 Fe Fe10 1 0.32403700 0.17596300 0.89361000 1.0 Fe Fe11 1 0.67596300 0.82403700 0.89361000 1.0 Fe Fe12 1 0.82403700 0.32403700 0.10639000 1.0 Fe Fe13 1 0.17596300 0.67596300 0.10639000 1.0 Fe Fe14 1 0.67596300 0.82403700 0.10639000 1.0 Fe Fe15 1 0.32403700 0.17596300 0.10639000 1.0 Fe Fe16 1 0.62457300 0.12457300 0.82020600 1.0 Fe Fe17 1 0.37542700 0.87542700 0.82020600 1.0 Fe Fe18 1 0.87542700 0.62457300 0.82020600 1.0 Fe Fe19 1 0.12457300 0.37542700 0.82020600 1.0 Fe Fe20 1 0.37542700 0.87542700 0.17979400 1.0 Fe Fe21 1 0.62457300 0.12457300 0.17979400 1.0 Fe Fe22 1 0.12457300 0.37542700 0.17979400 1.0 Fe Fe23 1 0.87542700 0.62457300 0.17979400 1.0 Fe Fe24 1 0.70671300 0.56755300 0.00000000 1.0 Fe Fe25 1 0.29328700 0.43244700 0.00000000 1.0 Fe Fe26 1 0.79328700 0.06755300 0.00000000 1.0 Fe Fe27 1 0.20671300 0.93244700 0.00000000 1.0 Fe Fe28 1 0.56755300 0.29328700 0.00000000 1.0 Fe Fe29 1 0.43244700 0.70671300 0.00000000 1.0 Fe Fe30 1 0.06755300 0.20671300 0.00000000 1.0 Fe Fe31 1 0.93244700 0.79328700 0.00000000 1.0 Fe Fe32 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe33 1 0.50000000 0.00000000 0.00000000 1.0 Sn Sn34 1 0.14638900 0.64638900 0.68184100 1.0 Sn Sn35 1 0.85361100 0.35361100 0.68184100 1.0 Sn Sn36 1 0.35361100 0.14638900 0.68184100 1.0 Sn Sn37 1 0.64638900 0.85361100 0.68184100 1.0 Sn Sn38 1 0.85361100 0.35361100 0.31815900 1.0 Sn Sn39 1 0.14638900 0.64638900 0.31815900 1.0 Sn Sn40 1 0.64638900 0.85361100 0.31815900 1.0 Sn Sn41 1 0.35361100 0.14638900 0.31815900 1.0 Sn Sn42 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn43 1 0.00000000 0.00000000 0.50000000 1.0