# generated using pymatgen data_NbTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27727398 _cell_length_b 9.27727398 _cell_length_c 20.90829088 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTe4 _chemical_formula_sum 'Nb12 Te48' _cell_volume 1799.53085915 _cell_formula_units_Z 12 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 -0.00000000 0.00000000 0.59664040 1.0 Nb Nb1 1 0.50000000 0.50000000 0.92848200 1.0 Nb Nb2 1 -0.00000000 0.00000000 0.90212589 1.0 Nb Nb3 1 0.50000000 0.50000000 0.58048573 1.0 Nb Nb4 1 0.50000000 0.50000000 0.73431690 1.0 Nb Nb5 1 0.50000000 0.50000000 0.08025550 1.0 Nb Nb6 1 -0.00000000 0.00000000 0.40167249 1.0 Nb Nb7 1 0.50000000 0.50000000 0.42875828 1.0 Nb Nb8 1 -0.00000000 0.00000000 0.09645767 1.0 Nb Nb9 1 -0.00000000 0.00000000 0.75015318 1.0 Nb Nb10 1 0.50000000 0.50000000 0.23409584 1.0 Nb Nb11 1 -0.00000000 0.00000000 0.24980174 1.0 Te Te12 1 0.76216800 0.09187142 0.16864010 1.0 Te Te13 1 0.23783200 0.90812858 0.16864010 1.0 Te Te14 1 0.21442367 0.09620330 0.99943680 1.0 Te Te15 1 0.90853418 0.23790960 0.66890627 1.0 Te Te16 1 0.09698654 0.21375988 0.49932783 1.0 Te Te17 1 0.09620330 0.78557633 0.99943680 1.0 Te Te18 1 0.73682020 0.40651496 0.16166090 1.0 Te Te19 1 0.90812858 0.76216800 0.16864010 1.0 Te Te20 1 0.78557633 0.90379670 0.99943680 1.0 Te Te21 1 0.90379670 0.21442367 0.99943680 1.0 Te Te22 1 0.74198134 0.41600305 0.50070225 1.0 Te Te23 1 0.24154396 0.08497124 0.32974567 1.0 Te Te24 1 0.28562656 0.40386779 0.33119748 1.0 Te Te25 1 0.23790960 0.09146582 0.66890627 1.0 Te Te26 1 0.26318080 0.59348504 0.16166090 1.0 Te Te27 1 0.41509292 0.74161030 0.00047007 1.0 Te Te28 1 0.21375988 0.90301346 0.49932783 1.0 Te Te29 1 0.26333235 0.40613794 0.66190450 1.0 Te Te30 1 0.28496865 0.59527010 0.83122498 1.0 Te Te31 1 0.09187142 0.23783200 0.16864010 1.0 Te Te32 1 0.78624012 0.09698654 0.49932783 1.0 Te Te33 1 0.91502876 0.24154396 0.32974567 1.0 Te Te34 1 0.59613221 0.28562656 0.33119748 1.0 Te Te35 1 0.59348504 0.73682020 0.16166090 1.0 Te Te36 1 0.73666765 0.59386206 0.66190450 1.0 Te Te37 1 0.25801866 0.58399695 0.50070225 1.0 Te Te38 1 0.91405625 0.75889844 0.83012200 1.0 Te Te39 1 0.40613794 0.73666765 0.66190450 1.0 Te Te40 1 0.24110156 0.91405625 0.83012200 1.0 Te Te41 1 0.25838970 0.41509292 0.00047007 1.0 Te Te42 1 0.58490708 0.25838970 0.00047007 1.0 Te Te43 1 0.09146582 0.76209040 0.66890627 1.0 Te Te44 1 0.76209040 0.90853418 0.66890627 1.0 Te Te45 1 0.08594375 0.24110156 0.83012200 1.0 Te Te46 1 0.40651496 0.26318080 0.16166090 1.0 Te Te47 1 0.59386206 0.26333235 0.66190450 1.0 Te Te48 1 0.71437344 0.59613221 0.33119748 1.0 Te Te49 1 0.75845604 0.91502876 0.32974567 1.0 Te Te50 1 0.90301346 0.78624012 0.49932783 1.0 Te Te51 1 0.58399695 0.74198134 0.50070225 1.0 Te Te52 1 0.40386779 0.71437344 0.33119748 1.0 Te Te53 1 0.08497124 0.75845604 0.32974567 1.0 Te Te54 1 0.71503135 0.40472990 0.83122498 1.0 Te Te55 1 0.74161030 0.58490708 0.00047007 1.0 Te Te56 1 0.59527010 0.71503135 0.83122498 1.0 Te Te57 1 0.40472990 0.28496865 0.83122498 1.0 Te Te58 1 0.41600305 0.25801866 0.50070225 1.0 Te Te59 1 0.75889844 0.08594375 0.83012200 1.0