# generated using pymatgen data_Th3Co4Sn13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64449000 _cell_length_b 9.64449000 _cell_length_c 9.64449000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Co4Sn13 _chemical_formula_sum 'Th6 Co8 Sn26' _cell_volume 897.09368883 _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 0.25000000 0.00000000 0.50000000 1.0 Th Th1 1 0.75000000 0.00000000 0.50000000 1.0 Th Th2 1 0.50000000 0.25000000 0.00000000 1.0 Th Th3 1 0.50000000 0.75000000 0.00000000 1.0 Th Th4 1 0.00000000 0.50000000 0.25000000 1.0 Th Th5 1 0.00000000 0.50000000 0.75000000 1.0 Co Co6 1 0.25000000 0.25000000 0.25000000 1.0 Co Co7 1 0.75000000 0.75000000 0.75000000 1.0 Co Co8 1 0.75000000 0.75000000 0.25000000 1.0 Co Co9 1 0.75000000 0.25000000 0.75000000 1.0 Co Co10 1 0.25000000 0.25000000 0.75000000 1.0 Co Co11 1 0.25000000 0.75000000 0.25000000 1.0 Co Co12 1 0.25000000 0.75000000 0.75000000 1.0 Co Co13 1 0.75000000 0.25000000 0.25000000 1.0 Sn Sn14 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn15 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn16 1 0.00000000 0.15614000 0.30403900 1.0 Sn Sn17 1 0.00000000 0.84386000 0.69596100 1.0 Sn Sn18 1 0.00000000 0.84386000 0.30403900 1.0 Sn Sn19 1 0.00000000 0.15614000 0.69596100 1.0 Sn Sn20 1 0.30403900 0.00000000 0.15614000 1.0 Sn Sn21 1 0.65614000 0.50000000 0.19596100 1.0 Sn Sn22 1 0.69596100 0.00000000 0.84386000 1.0 Sn Sn23 1 0.34386000 0.50000000 0.80403900 1.0 Sn Sn24 1 0.30403900 0.00000000 0.84386000 1.0 Sn Sn25 1 0.34386000 0.50000000 0.19596100 1.0 Sn Sn26 1 0.69596100 0.00000000 0.15614000 1.0 Sn Sn27 1 0.65614000 0.50000000 0.80403900 1.0 Sn Sn28 1 0.15614000 0.30403900 0.00000000 1.0 Sn Sn29 1 0.50000000 0.80403900 0.34386000 1.0 Sn Sn30 1 0.84386000 0.69596100 0.00000000 1.0 Sn Sn31 1 0.50000000 0.19596100 0.65614000 1.0 Sn Sn32 1 0.15614000 0.69596100 0.00000000 1.0 Sn Sn33 1 0.50000000 0.19596100 0.34386000 1.0 Sn Sn34 1 0.84386000 0.30403900 0.00000000 1.0 Sn Sn35 1 0.50000000 0.80403900 0.65614000 1.0 Sn Sn36 1 0.19596100 0.65614000 0.50000000 1.0 Sn Sn37 1 0.80403900 0.34386000 0.50000000 1.0 Sn Sn38 1 0.19596100 0.34386000 0.50000000 1.0 Sn Sn39 1 0.80403900 0.65614000 0.50000000 1.0