# generated using pymatgen data_Th(SiTc2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16038949 _cell_length_b 7.10630583 _cell_length_c 15.67235214 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th(SiTc2)2 _chemical_formula_sum 'Th4 Si8 Tc16' _cell_volume 463.35309287 _cell_formula_units_Z 4 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 0.00000000 0.59292334 0.11626719 1.0 Th Th1 1 0.00000000 0.40707666 0.88373281 1.0 Th Th2 1 0.50000000 0.09292334 0.38373281 1.0 Th Th3 1 0.50000000 0.90707666 0.61626719 1.0 Si Si4 1 0.00000000 0.82348651 0.47240424 1.0 Si Si5 1 0.00000000 0.17651349 0.52759576 1.0 Si Si6 1 0.50000000 0.32348651 0.02759576 1.0 Si Si7 1 0.50000000 0.67651349 0.97240424 1.0 Si Si8 1 0.00000000 0.31393861 0.27391221 1.0 Si Si9 1 0.00000000 0.68606139 0.72608779 1.0 Si Si10 1 0.50000000 0.81393861 0.22608779 1.0 Si Si11 1 0.50000000 0.18606139 0.77391221 1.0 Tc Tc12 1 0.00000000 0.14059033 0.05171953 1.0 Tc Tc13 1 0.00000000 0.85940967 0.94828047 1.0 Tc Tc14 1 0.50000000 0.64059033 0.44828047 1.0 Tc Tc15 1 0.50000000 0.35940967 0.55171953 1.0 Tc Tc16 1 0.00000000 0.73649007 0.31939146 1.0 Tc Tc17 1 0.00000000 0.26350993 0.68060854 1.0 Tc Tc18 1 0.50000000 0.23649007 0.18060854 1.0 Tc Tc19 1 0.50000000 0.76350993 0.81939146 1.0 Tc Tc20 1 0.00000000 0.43190003 0.42092110 1.0 Tc Tc21 1 0.00000000 0.56809997 0.57907890 1.0 Tc Tc22 1 0.50000000 0.93190003 0.07907890 1.0 Tc Tc23 1 0.50000000 0.06809997 0.92092110 1.0 Tc Tc24 1 0.00000000 0.00519121 0.20605454 1.0 Tc Tc25 1 0.00000000 0.99480879 0.79394546 1.0 Tc Tc26 1 0.50000000 0.50519121 0.29394546 1.0 Tc Tc27 1 0.50000000 0.49480879 0.70605454 1.0