# generated using pymatgen data_Ni4Te3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26122700 _cell_length_b 10.56783200 _cell_length_c 8.88780300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4Te3N2 _chemical_formula_sum 'Ni16 Te12 N8' _cell_volume 588.08454979 _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 Ni Ni0 1 0.47685800 0.25000000 0.85220600 1.0 Ni Ni1 1 0.97685800 0.25000000 0.64779400 1.0 Ni Ni2 1 0.52314200 0.75000000 0.14779400 1.0 Ni Ni3 1 0.02314200 0.75000000 0.35220600 1.0 Ni Ni4 1 0.79277600 0.25000000 0.41437800 1.0 Ni Ni5 1 0.29277600 0.25000000 0.08562200 1.0 Ni Ni6 1 0.20722400 0.75000000 0.58562200 1.0 Ni Ni7 1 0.70722400 0.75000000 0.91437800 1.0 Ni Ni8 1 0.69201400 0.45886500 0.06402000 1.0 Ni Ni9 1 0.19201400 0.04113500 0.43598000 1.0 Ni Ni10 1 0.30798600 0.95886500 0.93598000 1.0 Ni Ni11 1 0.80798600 0.54113500 0.56402000 1.0 Ni Ni12 1 0.30798600 0.54113500 0.93598000 1.0 Ni Ni13 1 0.80798600 0.95886500 0.56402000 1.0 Ni Ni14 1 0.69201400 0.04113500 0.06402000 1.0 Ni Ni15 1 0.19201400 0.45886500 0.43598000 1.0 Te Te16 1 0.88489000 0.25000000 0.14423200 1.0 Te Te17 1 0.38489000 0.25000000 0.35576800 1.0 Te Te18 1 0.11511000 0.75000000 0.85576800 1.0 Te Te19 1 0.61511000 0.75000000 0.64423200 1.0 Te Te20 1 0.55584600 0.56039200 0.32217900 1.0 Te Te21 1 0.05584600 0.93960800 0.17782100 1.0 Te Te22 1 0.44415400 0.06039200 0.67782100 1.0 Te Te23 1 0.94415400 0.43960800 0.82217900 1.0 Te Te24 1 0.44415400 0.43960800 0.67782100 1.0 Te Te25 1 0.94415400 0.06039200 0.82217900 1.0 Te Te26 1 0.55584600 0.93960800 0.32217900 1.0 Te Te27 1 0.05584600 0.56039200 0.17782100 1.0 N N28 1 0.56365700 0.61817400 0.00541500 1.0 N N29 1 0.06365700 0.88182600 0.49458500 1.0 N N30 1 0.43634300 0.11817500 0.99458500 1.0 N N31 1 0.93634300 0.38182500 0.50541500 1.0 N N32 1 0.43634300 0.38182500 0.99458500 1.0 N N33 1 0.93634300 0.11817500 0.50541500 1.0 N N34 1 0.56365700 0.88182600 0.00541500 1.0 N N35 1 0.06365700 0.61817400 0.49458500 1.0