# generated using pymatgen data_Nb4NiTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87370863 _cell_length_b 10.78554806 _cell_length_c 18.87344131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4NiTe4 _chemical_formula_sum 'Nb16 Ni4 Te16' _cell_volume 992.09411901 _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 0.56655550 0.38255185 1.0 Nb Nb1 1 0.50000000 0.43344450 0.61744815 1.0 Nb Nb2 1 0.50000000 0.06655550 0.11744815 1.0 Nb Nb3 1 0.50000000 0.93344450 0.88255185 1.0 Nb Nb4 1 0.50000000 0.70741711 0.53614335 1.0 Nb Nb5 1 0.50000000 0.29258289 0.46385665 1.0 Nb Nb6 1 0.50000000 0.20741711 0.96385665 1.0 Nb Nb7 1 0.50000000 0.79258289 0.03614335 1.0 Nb Nb8 1 0.00000000 0.69253887 0.44269777 1.0 Nb Nb9 1 0.00000000 0.30746113 0.55730223 1.0 Nb Nb10 1 0.00000000 0.19253887 0.05730223 1.0 Nb Nb11 1 0.00000000 0.80746113 0.94269777 1.0 Nb Nb12 1 0.00000000 0.39906835 0.39092256 1.0 Nb Nb13 1 0.00000000 0.60093165 0.60907744 1.0 Nb Nb14 1 0.00000000 0.89906835 0.10907744 1.0 Nb Nb15 1 0.00000000 0.10093165 0.89092256 1.0 Ni Ni16 1 0.24994461 0.50000000 0.50000000 1.0 Ni Ni17 1 0.75005539 0.00000000 0.00000000 1.0 Ni Ni18 1 0.75005539 0.50000000 0.50000000 1.0 Ni Ni19 1 0.24994461 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.85176870 0.56342702 1.0 Te Te21 1 0.00000000 0.14823130 0.43657298 1.0 Te Te22 1 0.00000000 0.35176870 0.93657298 1.0 Te Te23 1 0.00000000 0.64823130 0.06342702 1.0 Te Te24 1 0.50000000 0.33099120 0.31509847 1.0 Te Te25 1 0.50000000 0.66900880 0.68490153 1.0 Te Te26 1 0.50000000 0.83099120 0.18490153 1.0 Te Te27 1 0.50000000 0.16900880 0.81509847 1.0 Te Te28 1 0.50000000 0.82843664 0.40222012 1.0 Te Te29 1 0.50000000 0.17156336 0.59777988 1.0 Te Te30 1 0.50000000 0.32843664 0.09777988 1.0 Te Te31 1 0.50000000 0.67156336 0.90222012 1.0 Te Te32 1 0.00000000 0.60918120 0.29989096 1.0 Te Te33 1 0.00000000 0.39081880 0.70010904 1.0 Te Te34 1 0.00000000 0.10918120 0.20010904 1.0 Te Te35 1 0.00000000 0.89081880 0.79989096 1.0