# generated using pymatgen data_Ni23Te42 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57359300 _cell_length_b 8.59967131 _cell_length_c 20.01575726 _cell_angle_alpha 93.15400667 _cell_angle_beta 94.83557129 _cell_angle_gamma 93.83359543 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni23Te42 _chemical_formula_sum 'Ni23 Te42' _cell_volume 1464.48726950 _cell_formula_units_Z 1 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 0.57275900 0.00264700 0.71512700 1.0 Ni Ni1 1 0.23585600 0.66684600 0.71516200 1.0 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.95487200 0.66478800 0.85647900 1.0 Ni Ni4 1 0.71059500 0.00240000 0.14143100 1.0 Ni Ni5 1 0.09668600 0.16741300 0.78614700 1.0 Ni Ni6 1 0.90222700 0.33634400 0.71278700 1.0 Ni Ni7 1 0.66627900 0.66780200 0.99876100 1.0 Ni Ni8 1 0.42724100 0.99735300 0.28487300 1.0 Ni Ni9 1 0.61920700 0.32951400 0.85665000 1.0 Ni Ni10 1 0.38079300 0.67048600 0.14335000 1.0 Ni Ni11 1 0.14259500 0.99673400 0.42973200 1.0 Ni Ni12 1 0.33372100 0.33219800 0.00123900 1.0 Ni Ni13 1 0.09777300 0.66365600 0.28721300 1.0 Ni Ni14 1 0.85740500 0.00326600 0.57026800 1.0 Ni Ni15 1 0.28940500 0.99760000 0.85856900 1.0 Ni Ni16 1 0.04512800 0.33521200 0.14352100 1.0 Ni Ni17 1 0.81092700 0.66709200 0.43005600 1.0 Ni Ni18 1 0.76414400 0.33315400 0.28483800 1.0 Ni Ni19 1 0.52355200 0.66583000 0.57194200 1.0 Ni Ni20 1 0.90331400 0.83258700 0.21385300 1.0 Ni Ni21 1 0.47644800 0.33417000 0.42805800 1.0 Ni Ni22 1 0.18907300 0.33290800 0.56994400 1.0 Te Te23 1 0.53812100 0.69647900 0.70241900 1.0 Te Te24 1 0.25482600 0.69091200 0.84586100 1.0 Te Te25 1 0.96568300 0.69456000 0.98760200 1.0 Te Te26 1 0.20386200 0.36516900 0.69996500 1.0 Te Te27 1 0.55715700 0.97164900 0.58388700 1.0 Te Te28 1 0.91690600 0.36334800 0.84485600 1.0 Te Te29 1 0.67767300 0.69402400 0.12855600 1.0 Te Te30 1 0.27432500 0.96882100 0.72655700 1.0 Te Te31 1 0.86856200 0.02940300 0.70036400 1.0 Te Te32 1 0.63178400 0.36241500 0.98843300 1.0 Te Te33 1 0.39848900 0.69343700 0.27392300 1.0 Te Te34 1 0.22386500 0.63743700 0.58413600 1.0 Te Te35 1 0.98727300 0.96683600 0.87072900 1.0 Te Te36 1 0.58893900 0.02591000 0.84572400 1.0 Te Te37 1 0.34665000 0.36227000 0.13176700 1.0 Te Te38 1 0.93587900 0.64035300 0.72553800 1.0 Te Te39 1 0.11190500 0.69247600 0.41771600 1.0 Te Te40 1 0.69726200 0.97236800 0.01092600 1.0 Te Te41 1 0.30273800 0.02763200 0.98907400 1.0 Te Te42 1 0.06412100 0.35964700 0.27446200 1.0 Te Te43 1 0.65335000 0.63773000 0.86823300 1.0 Te Te44 1 0.88809500 0.30752400 0.58228400 1.0 Te Te45 1 0.82284500 0.69533600 0.56033100 1.0 Te Te46 1 0.41106100 0.97409000 0.15427600 1.0 Te Te47 1 0.01272700 0.03316400 0.12927100 1.0 Te Te48 1 0.77613500 0.36256300 0.41586400 1.0 Te Te49 1 0.36821600 0.63758500 0.01156700 1.0 Te Te50 1 0.60151100 0.30656300 0.72607700 1.0 Te Te51 1 0.13143800 0.97059700 0.29963600 1.0 Te Te52 1 0.72567500 0.03117900 0.27344300 1.0 Te Te53 1 0.48995700 0.35985100 0.55872500 1.0 Te Te54 1 0.08309400 0.63665200 0.15514400 1.0 Te Te55 1 0.32232700 0.30597600 0.87144400 1.0 Te Te56 1 0.84299500 0.97124700 0.43989400 1.0 Te Te57 1 0.44284300 0.02835100 0.41611300 1.0 Te Te58 1 0.03431700 0.30544000 0.01239800 1.0 Te Te59 1 0.79613800 0.63483100 0.30003500 1.0 Te Te60 1 0.15700500 0.02875300 0.56010600 1.0 Te Te61 1 0.74517400 0.30908800 0.15413900 1.0 Te Te62 1 0.51004300 0.64014900 0.44127500 1.0 Te Te63 1 0.46187900 0.30352100 0.29758100 1.0 Te Te64 1 0.17715500 0.30466400 0.43966900 1.0