# generated using pymatgen data_Nb2Ni5Te6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57483500 _cell_length_b 8.42798329 _cell_length_c 10.72451960 _cell_angle_alpha 112.93293515 _cell_angle_beta 89.95276158 _cell_angle_gamma 116.60027285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Ni5Te6 _chemical_formula_sum 'Nb4 Ni10 Te12' _cell_volume 551.12554148 _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 0.12398400 0.29673600 0.20196000 1.0 Nb Nb1 1 0.62410900 0.28905900 0.20963200 1.0 Nb Nb2 1 0.87601600 0.70326400 0.79804000 1.0 Nb Nb3 1 0.37589100 0.71094100 0.79036800 1.0 Ni Ni4 1 0.61690400 0.90153900 0.58739900 1.0 Ni Ni5 1 0.12103300 0.89783600 0.58920200 1.0 Ni Ni6 1 0.38309600 0.09846100 0.41260100 1.0 Ni Ni7 1 0.87896700 0.10216400 0.41079800 1.0 Ni Ni8 1 0.56740100 0.45646100 0.93074200 1.0 Ni Ni9 1 0.06951900 0.45579800 0.92918000 1.0 Ni Ni10 1 0.43259900 0.54353900 0.06925800 1.0 Ni Ni11 1 0.93048100 0.54420200 0.07082000 1.0 Ni Ni12 1 0.76564400 0.27767400 0.50248700 1.0 Ni Ni13 1 0.23435600 0.72232600 0.49751300 1.0 Te Te14 1 0.50490500 0.91637100 0.32951000 1.0 Te Te15 1 0.99897800 0.92648100 0.33154800 1.0 Te Te16 1 0.49509500 0.08362900 0.67049000 1.0 Te Te17 1 0.00102200 0.07351900 0.66845200 1.0 Te Te18 1 0.47952200 0.53919300 0.66169700 1.0 Te Te19 1 0.96884600 0.53269000 0.66063000 1.0 Te Te20 1 0.52047800 0.46080700 0.33830300 1.0 Te Te21 1 0.03115400 0.46731000 0.33937000 1.0 Te Te22 1 0.75958300 0.77995600 0.99306700 1.0 Te Te23 1 0.26144600 0.77594700 0.99582800 1.0 Te Te24 1 0.24041700 0.22004400 0.00693300 1.0 Te Te25 1 0.73855400 0.22405300 0.00417200 1.0