# generated using pymatgen data_Ta4CrTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85078100 _cell_length_b 10.80512000 _cell_length_c 18.77772300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4CrTe4 _chemical_formula_sum 'Ta16 Cr4 Te16' _cell_volume 984.20188058 _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 0.56588100 0.38023800 1.0 Ta Ta1 1 0.50000000 0.43411900 0.61976200 1.0 Ta Ta2 1 0.50000000 0.06588100 0.11976200 1.0 Ta Ta3 1 0.50000000 0.93411900 0.88023800 1.0 Ta Ta4 1 0.50000000 0.70919300 0.53750500 1.0 Ta Ta5 1 0.50000000 0.29080700 0.46249500 1.0 Ta Ta6 1 0.50000000 0.20919300 0.96249500 1.0 Ta Ta7 1 0.50000000 0.79080700 0.03750500 1.0 Ta Ta8 1 0.00000000 0.69423900 0.44131700 1.0 Ta Ta9 1 0.00000000 0.30576100 0.55868300 1.0 Ta Ta10 1 0.00000000 0.19423900 0.05868300 1.0 Ta Ta11 1 0.00000000 0.80576100 0.94131700 1.0 Ta Ta12 1 0.00000000 0.39876900 0.38871900 1.0 Ta Ta13 1 0.00000000 0.60123100 0.61128100 1.0 Ta Ta14 1 0.00000000 0.89876900 0.11128100 1.0 Ta Ta15 1 0.00000000 0.10123100 0.88871900 1.0 Cr Cr16 1 0.24981700 0.50000000 0.50000000 1.0 Cr Cr17 1 0.75018300 0.00000000 0.00000000 1.0 Cr Cr18 1 0.75018300 0.50000000 0.50000000 1.0 Cr Cr19 1 0.24981700 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.85408700 0.56422100 1.0 Te Te21 1 0.00000000 0.14591300 0.43577900 1.0 Te Te22 1 0.00000000 0.35408700 0.93577900 1.0 Te Te23 1 0.00000000 0.64591300 0.06422100 1.0 Te Te24 1 0.50000000 0.32912000 0.31139700 1.0 Te Te25 1 0.50000000 0.67088000 0.68860300 1.0 Te Te26 1 0.50000000 0.82912000 0.18860300 1.0 Te Te27 1 0.50000000 0.17088000 0.81139700 1.0 Te Te28 1 0.50000000 0.83021300 0.40099200 1.0 Te Te29 1 0.50000000 0.16978700 0.59900800 1.0 Te Te30 1 0.50000000 0.33021300 0.09900800 1.0 Te Te31 1 0.50000000 0.66978700 0.90099200 1.0 Te Te32 1 0.00000000 0.60974100 0.29615700 1.0 Te Te33 1 0.00000000 0.39025900 0.70384300 1.0 Te Te34 1 0.00000000 0.10974100 0.20384300 1.0 Te Te35 1 0.00000000 0.89025900 0.79615700 1.0