# generated using pymatgen data_TaNi2TeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51448100 _cell_length_b 6.49518200 _cell_length_c 16.55313600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi2TeSe _chemical_formula_sum 'Ta4 Ni8 Te4 Se4' _cell_volume 377.86164232 _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 0.25000000 0.90816100 0.72129600 1.0 Ta Ta1 1 0.75000000 0.09183900 0.27870400 1.0 Ta Ta2 1 0.25000000 0.40816100 0.77870400 1.0 Ta Ta3 1 0.75000000 0.59183900 0.22129600 1.0 Ni Ni4 1 0.75000000 0.60333900 0.68045000 1.0 Ni Ni5 1 0.25000000 0.39666100 0.31955000 1.0 Ni Ni6 1 0.25000000 0.89666100 0.18045000 1.0 Ni Ni7 1 0.25000000 0.78562900 0.32071400 1.0 Ni Ni8 1 0.75000000 0.71437100 0.82071400 1.0 Ni Ni9 1 0.75000000 0.10333900 0.81955000 1.0 Ni Ni10 1 0.75000000 0.21437100 0.67928600 1.0 Ni Ni11 1 0.25000000 0.28562900 0.17928600 1.0 Te Te12 1 0.25000000 0.90965100 0.90291100 1.0 Te Te13 1 0.75000000 0.59034900 0.40291100 1.0 Te Te14 1 0.75000000 0.09034900 0.09708900 1.0 Te Te15 1 0.25000000 0.40965100 0.59708900 1.0 Se Se16 1 0.75000000 0.90895400 0.59988700 1.0 Se Se17 1 0.25000000 0.59104600 0.09988700 1.0 Se Se18 1 0.75000000 0.40895400 0.90011300 1.0 Se Se19 1 0.25000000 0.09104600 0.40011300 1.0