# generated using pymatgen data_Nb2Ni5Te6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57483523 _cell_length_b 10.75210437 _cell_length_c 8.42798368 _cell_angle_alpha 113.27790469 _cell_angle_beta 116.60027626 _cell_angle_gamma 69.50321595 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Ni5Te6 _chemical_formula_sum 'Nb4 Ni10 Te12' _cell_volume 551.12557136 _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 0.87398400 0.79804000 0.29673600 1.0 Nb Nb1 1 0.37410900 0.79036800 0.28905900 1.0 Nb Nb2 1 0.62601600 0.20196000 0.70326400 1.0 Nb Nb3 1 0.12589100 0.20963200 0.71094100 1.0 Ni Ni4 1 0.36690400 0.41260100 0.90153900 1.0 Ni Ni5 1 0.87103300 0.41079800 0.89783600 1.0 Ni Ni6 1 0.13309600 0.58739900 0.09846100 1.0 Ni Ni7 1 0.62896700 0.58920200 0.10216400 1.0 Ni Ni8 1 0.31740100 0.06925800 0.45646100 1.0 Ni Ni9 1 0.81951900 0.07082000 0.45579800 1.0 Ni Ni10 1 0.18259900 0.93074200 0.54353900 1.0 Ni Ni11 1 0.68048100 0.92918000 0.54420200 1.0 Ni Ni12 1 0.51564400 0.49751300 0.27767400 1.0 Ni Ni13 1 0.98435600 0.50248700 0.72232600 1.0 Te Te14 1 0.25490500 0.67049000 0.91637100 1.0 Te Te15 1 0.74897800 0.66845200 0.92648100 1.0 Te Te16 1 0.24509500 0.32951000 0.08362900 1.0 Te Te17 1 0.75102200 0.33154800 0.07351900 1.0 Te Te18 1 0.22952200 0.33830300 0.53919300 1.0 Te Te19 1 0.71884600 0.33937000 0.53269000 1.0 Te Te20 1 0.27047800 0.66169700 0.46080700 1.0 Te Te21 1 0.78115400 0.66063000 0.46731000 1.0 Te Te22 1 0.50958300 0.00693300 0.77995600 1.0 Te Te23 1 0.01144600 0.00417200 0.77594700 1.0 Te Te24 1 0.99041700 0.99306700 0.22004400 1.0 Te Te25 1 0.48855400 0.99582800 0.22405300 1.0