# generated using pymatgen data_TaFeTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53794200 _cell_length_b 8.06544000 _cell_length_c 10.38994936 _cell_angle_alpha 69.02490630 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaFeTe3 _chemical_formula_sum 'Ta2 Fe2 Te6' _cell_volume 276.83204664 _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 Ta Ta0 1 0.75000000 0.96992800 0.70412600 1.0 Ta Ta1 1 0.25000000 0.03007200 0.29587400 1.0 Fe Fe2 1 0.25000000 0.97822700 0.91263100 1.0 Fe Fe3 1 0.75000000 0.02177300 0.08736900 1.0 Te Te4 1 0.25000000 0.20008900 0.50293600 1.0 Te Te5 1 0.75000000 0.79991100 0.49706400 1.0 Te Te6 1 0.25000000 0.77105000 0.17322800 1.0 Te Te7 1 0.75000000 0.22895000 0.82677200 1.0 Te Te8 1 0.75000000 0.29874100 0.16012200 1.0 Te Te9 1 0.25000000 0.70125900 0.83987800 1.0