# generated using pymatgen data_ThAl10FeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83880080 _cell_length_b 6.81826085 _cell_length_c 9.09360771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.34937971 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAl10FeTc _chemical_formula_sum 'Th2 Al20 Fe2 Tc2' _cell_volume 420.53982217 _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 0.86978474 0.12010228 0.75000000 1.0 Th Th1 1 0.13021526 0.87989772 0.25000000 1.0 Al Al2 1 0.51660364 0.77449786 0.75000000 1.0 Al Al3 1 0.48339636 0.22550214 0.25000000 1.0 Al Al4 1 0.59937480 0.86526305 0.25000000 1.0 Al Al5 1 0.77445167 0.76710982 0.00030482 1.0 Al Al6 1 0.15659928 0.83388112 0.60053087 1.0 Al Al7 1 0.22554833 0.23289018 0.99969518 1.0 Al Al8 1 0.13561291 0.41071402 0.25000000 1.0 Al Al9 1 0.62425625 0.37908532 0.95161978 1.0 Al Al10 1 0.84340072 0.16611888 0.10053087 1.0 Al Al11 1 0.37574375 0.62091468 0.45161978 1.0 Al Al12 1 0.15659928 0.83388112 0.89946913 1.0 Al Al13 1 0.21528545 0.47919958 0.75000000 1.0 Al Al14 1 0.37574375 0.62091468 0.04838022 1.0 Al Al15 1 0.84340072 0.16611888 0.39946913 1.0 Al Al16 1 0.62425625 0.37908532 0.54838022 1.0 Al Al17 1 0.40062520 0.13473695 0.75000000 1.0 Al Al18 1 0.78471455 0.52080042 0.25000000 1.0 Al Al19 1 0.77445167 0.76710982 0.49969518 1.0 Al Al20 1 0.22554833 0.23289018 0.50030482 1.0 Al Al21 1 0.86438709 0.58928598 0.75000000 1.0 Fe Fe22 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe23 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.00000000 1.0 Tc Tc25 1 0.50000000 0.00000000 0.50000000 1.0