# generated using pymatgen data_Nb3SiTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41852600 _cell_length_b 11.63838900 _cell_length_c 14.94060400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3SiTe6 _chemical_formula_sum 'Nb12 Si4 Te24' _cell_volume 1116.08257736 _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 Nb Nb0 1 0.16701200 0.83596000 0.75000000 1.0 Nb Nb1 1 0.66701200 0.66404000 0.75000000 1.0 Nb Nb2 1 0.33298800 0.33596000 0.25000000 1.0 Nb Nb3 1 0.83298800 0.16404000 0.25000000 1.0 Nb Nb4 1 0.69778400 0.96626100 0.75000000 1.0 Nb Nb5 1 0.19778400 0.53373900 0.75000000 1.0 Nb Nb6 1 0.80221600 0.46626100 0.25000000 1.0 Nb Nb7 1 0.30221600 0.03373900 0.25000000 1.0 Nb Nb8 1 0.96839900 0.31187000 0.75000000 1.0 Nb Nb9 1 0.46839900 0.18813000 0.75000000 1.0 Nb Nb10 1 0.53160100 0.81187000 0.25000000 1.0 Nb Nb11 1 0.03160100 0.68813000 0.25000000 1.0 Si Si12 1 0.07538300 0.07479500 0.75000000 1.0 Si Si13 1 0.57538300 0.42520500 0.75000000 1.0 Si Si14 1 0.42461700 0.57479500 0.25000000 1.0 Si Si15 1 0.92461700 0.92520500 0.25000000 1.0 Te Te16 1 0.84904200 0.81680100 0.62190400 1.0 Te Te17 1 0.34904200 0.68319900 0.87809600 1.0 Te Te18 1 0.65095800 0.31680100 0.37809600 1.0 Te Te19 1 0.15095800 0.18319900 0.12190400 1.0 Te Te20 1 0.15095800 0.18319900 0.37809600 1.0 Te Te21 1 0.65095800 0.31680100 0.12190400 1.0 Te Te22 1 0.34904200 0.68319900 0.62190400 1.0 Te Te23 1 0.84904200 0.81680100 0.87809600 1.0 Te Te24 1 0.79579800 0.15515200 0.62459200 1.0 Te Te25 1 0.29579800 0.34484800 0.87540800 1.0 Te Te26 1 0.70420200 0.65515200 0.37540800 1.0 Te Te27 1 0.20420200 0.84484800 0.12459200 1.0 Te Te28 1 0.20420200 0.84484800 0.37540800 1.0 Te Te29 1 0.70420200 0.65515200 0.12459200 1.0 Te Te30 1 0.29579800 0.34484800 0.62459200 1.0 Te Te31 1 0.79579800 0.15515200 0.87540800 1.0 Te Te32 1 0.35631200 0.99782800 0.62799300 1.0 Te Te33 1 0.85631200 0.50217200 0.87200700 1.0 Te Te34 1 0.14368800 0.49782800 0.37200700 1.0 Te Te35 1 0.64368800 0.00217200 0.12799300 1.0 Te Te36 1 0.64368800 0.00217200 0.37200700 1.0 Te Te37 1 0.14368800 0.49782800 0.12799300 1.0 Te Te38 1 0.85631200 0.50217200 0.62799300 1.0 Te Te39 1 0.35631200 0.99782800 0.87200700 1.0