# generated using pymatgen data_NbNiTe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70966093 _cell_length_b 7.15608216 _cell_length_c 15.14821181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.02239185 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNiTe5 _chemical_formula_sum 'Nb2 Ni2 Te10' _cell_volume 388.39100899 _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 Nb Nb0 1 0.50867925 0.01735749 0.25000000 1.0 Nb Nb1 1 0.49132075 0.98264251 0.75000000 1.0 Ni Ni2 1 -0.00000000 -0.00000000 0.50000000 1.0 Ni Ni3 1 -0.00000000 -0.00000000 -0.00000000 1.0 Te Te4 1 0.60039889 0.20079778 0.42521981 1.0 Te Te5 1 0.39960111 0.79920222 0.57478019 1.0 Te Te6 1 0.39960111 0.79920222 0.92521981 1.0 Te Te7 1 0.60039889 0.20079778 0.07478019 1.0 Te Te8 1 0.16477828 0.32955757 0.25000000 1.0 Te Te9 1 0.83522172 0.67044243 0.75000000 1.0 Te Te10 1 0.09894032 0.19788065 0.64383983 1.0 Te Te11 1 0.90105968 0.80211935 0.35616017 1.0 Te Te12 1 0.90105968 0.80211935 0.14383983 1.0 Te Te13 1 0.09894032 0.19788065 0.85616017 1.0