# generated using pymatgen data_Ta4FeTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86032300 _cell_length_b 10.94930800 _cell_length_c 19.26369700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4FeTe4 _chemical_formula_sum 'Ta16 Fe4 Te16' _cell_volume 1025.15950563 _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 Ta Ta0 1 0.50000000 0.59583500 0.60566000 1.0 Ta Ta1 1 0.50000000 0.40416500 0.39434000 1.0 Ta Ta2 1 0.50000000 0.09583500 0.89434000 1.0 Ta Ta3 1 0.50000000 0.90416500 0.10566000 1.0 Ta Ta4 1 0.00000000 0.29992400 0.46370300 1.0 Ta Ta5 1 0.00000000 0.70007600 0.53629700 1.0 Ta Ta6 1 0.00000000 0.79992400 0.03629700 1.0 Ta Ta7 1 0.00000000 0.20007600 0.96370300 1.0 Ta Ta8 1 0.50000000 0.31314000 0.55451800 1.0 Ta Ta9 1 0.50000000 0.68686000 0.44548200 1.0 Ta Ta10 1 0.50000000 0.81314000 0.94548200 1.0 Ta Ta11 1 0.50000000 0.18686000 0.05451800 1.0 Ta Ta12 1 0.00000000 0.43580400 0.61317600 1.0 Ta Ta13 1 0.00000000 0.56419600 0.38682400 1.0 Ta Ta14 1 0.00000000 0.93580400 0.88682400 1.0 Ta Ta15 1 0.00000000 0.06419600 0.11317600 1.0 Fe Fe16 1 0.24996600 0.50000000 0.50000000 1.0 Fe Fe17 1 0.75003400 0.00000000 0.00000000 1.0 Fe Fe18 1 0.75003400 0.50000000 0.50000000 1.0 Fe Fe19 1 0.24996600 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.66572900 0.68327400 1.0 Te Te21 1 0.00000000 0.33427100 0.31672600 1.0 Te Te22 1 0.00000000 0.16572900 0.81672600 1.0 Te Te23 1 0.00000000 0.83427100 0.18327400 1.0 Te Te24 1 0.50000000 0.38921800 0.69636400 1.0 Te Te25 1 0.50000000 0.61078200 0.30363600 1.0 Te Te26 1 0.50000000 0.88921800 0.80363600 1.0 Te Te27 1 0.50000000 0.11078200 0.19636400 1.0 Te Te28 1 0.50000000 0.15379200 0.43679600 1.0 Te Te29 1 0.50000000 0.84620800 0.56320400 1.0 Te Te30 1 0.50000000 0.65379200 0.06320400 1.0 Te Te31 1 0.50000000 0.34620800 0.93679600 1.0 Te Te32 1 0.00000000 0.32359300 0.09454000 1.0 Te Te33 1 0.00000000 0.67640700 0.90546000 1.0 Te Te34 1 0.00000000 0.82359300 0.40546000 1.0 Te Te35 1 0.00000000 0.17640700 0.59454000 1.0