# generated using pymatgen data_Nb4FeTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88879900 _cell_length_b 10.65475800 _cell_length_c 18.46997400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4FeTe4 _chemical_formula_sum 'Nb16 Fe4 Te16' _cell_volume 962.08192631 _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 0.50000000 0.56573500 0.38076200 1.0 Nb Nb1 1 0.50000000 0.43426500 0.61923800 1.0 Nb Nb2 1 0.50000000 0.06573500 0.11923800 1.0 Nb Nb3 1 0.50000000 0.93426500 0.88076200 1.0 Nb Nb4 1 0.50000000 0.70846800 0.53736700 1.0 Nb Nb5 1 0.50000000 0.29153200 0.46263300 1.0 Nb Nb6 1 0.50000000 0.20846800 0.96263300 1.0 Nb Nb7 1 0.50000000 0.79153200 0.03736700 1.0 Nb Nb8 1 0.00000000 0.69387400 0.44152200 1.0 Nb Nb9 1 0.00000000 0.30612600 0.55847800 1.0 Nb Nb10 1 0.00000000 0.19387400 0.05847800 1.0 Nb Nb11 1 0.00000000 0.80612600 0.94152200 1.0 Nb Nb12 1 0.00000000 0.39925300 0.38918000 1.0 Nb Nb13 1 0.00000000 0.60074700 0.61082000 1.0 Nb Nb14 1 0.00000000 0.89925300 0.11082000 1.0 Nb Nb15 1 0.00000000 0.10074700 0.88918000 1.0 Fe Fe16 1 0.24927100 0.50000000 0.50000000 1.0 Fe Fe17 1 0.75072900 0.00000000 0.00000000 1.0 Fe Fe18 1 0.75072900 0.50000000 0.50000000 1.0 Fe Fe19 1 0.24927100 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.85600500 0.56477300 1.0 Te Te21 1 0.00000000 0.14399500 0.43522700 1.0 Te Te22 1 0.00000000 0.35600500 0.93522700 1.0 Te Te23 1 0.00000000 0.64399500 0.06477300 1.0 Te Te24 1 0.50000000 0.32859900 0.31022700 1.0 Te Te25 1 0.50000000 0.67140100 0.68977300 1.0 Te Te26 1 0.50000000 0.82859900 0.18977300 1.0 Te Te27 1 0.50000000 0.17140100 0.81022700 1.0 Te Te28 1 0.50000000 0.83203500 0.40043100 1.0 Te Te29 1 0.50000000 0.16796500 0.59956900 1.0 Te Te30 1 0.50000000 0.33203500 0.09956900 1.0 Te Te31 1 0.50000000 0.66796500 0.90043100 1.0 Te Te32 1 0.00000000 0.61020500 0.29492500 1.0 Te Te33 1 0.00000000 0.38979500 0.70507500 1.0 Te Te34 1 0.00000000 0.11020500 0.20507500 1.0 Te Te35 1 0.00000000 0.88979500 0.79492500 1.0