# generated using pymatgen data_NbTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.25104300 _cell_length_b 13.25104300 _cell_length_c 20.98175000 _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 'Nb24 Te96' _cell_volume 3684.18843228 _cell_formula_units_Z 24 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 0.50000000 0.92989800 1.0 Nb Nb1 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb2 1 0.50000000 0.50000000 0.40293200 1.0 Nb Nb3 1 0.00000000 0.50000000 0.23605900 1.0 Nb Nb4 1 0.50000000 0.00000000 0.41828000 1.0 Nb Nb5 1 0.50000000 0.00000000 0.26394100 1.0 Nb Nb6 1 0.50000000 0.50000000 0.90293200 1.0 Nb Nb7 1 0.00000000 0.50000000 0.58172000 1.0 Nb Nb8 1 0.00000000 0.00000000 0.40293200 1.0 Nb Nb9 1 0.00000000 0.00000000 0.90293200 1.0 Nb Nb10 1 0.50000000 0.00000000 0.07010200 1.0 Nb Nb11 1 0.50000000 0.00000000 0.57010200 1.0 Nb Nb12 1 0.50000000 0.50000000 0.59706800 1.0 Nb Nb13 1 0.00000000 0.50000000 0.42989800 1.0 Nb Nb14 1 0.50000000 0.00000000 0.76394100 1.0 Nb Nb15 1 0.50000000 0.50000000 0.25000000 1.0 Nb Nb16 1 0.50000000 0.50000000 0.75000000 1.0 Nb Nb17 1 0.00000000 0.00000000 0.59706800 1.0 Nb Nb18 1 0.00000000 0.50000000 0.08172000 1.0 Nb Nb19 1 0.50000000 0.00000000 0.91828000 1.0 Nb Nb20 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb21 1 0.50000000 0.50000000 0.09706800 1.0 Nb Nb22 1 0.00000000 0.00000000 0.09706800 1.0 Nb Nb23 1 0.00000000 0.50000000 0.73605900 1.0 Te Te24 1 0.43781500 0.15299400 0.16766900 1.0 Te Te25 1 0.05932000 0.84468100 0.50046800 1.0 Te Te26 1 0.34468100 0.44068000 0.50046800 1.0 Te Te27 1 0.84468100 0.05932000 0.99953200 1.0 Te Te28 1 0.57627500 0.33637900 0.83014000 1.0 Te Te29 1 0.15299400 0.56218500 0.83233100 1.0 Te Te30 1 0.92372500 0.83637900 0.66986000 1.0 Te Te31 1 0.07818300 0.33721800 0.50288400 1.0 Te Te32 1 0.42372500 0.33637900 0.33014000 1.0 Te Te33 1 0.57341700 0.33616400 0.16919500 1.0 Te Te34 1 0.65531900 0.55932000 0.50046800 1.0 Te Te35 1 0.65299400 0.06218500 0.16766900 1.0 Te Te36 1 0.42372500 0.66362100 0.83014000 1.0 Te Te37 1 0.43781500 0.84700600 0.66766900 1.0 Te Te38 1 0.07818300 0.66278200 0.00288400 1.0 Te Te39 1 0.33616400 0.57341700 0.33080500 1.0 Te Te40 1 0.83616400 0.07341700 0.66919500 1.0 Te Te41 1 0.05932000 0.15531900 0.00046800 1.0 Te Te42 1 0.06786800 0.66685400 0.66351500 1.0 Te Te43 1 0.33314600 0.93213200 0.83648500 1.0 Te Te44 1 0.15299400 0.43781500 0.33233100 1.0 Te Te45 1 0.66362100 0.57627500 0.16986000 1.0 Te Te46 1 0.34700600 0.06218500 0.66766900 1.0 Te Te47 1 0.83721800 0.57818300 0.00288400 1.0 Te Te48 1 0.56218500 0.15299400 0.66766900 1.0 Te Te49 1 0.07341700 0.83616400 0.83080500 1.0 Te Te50 1 0.06218500 0.34700600 0.83233100 1.0 Te Te51 1 0.34700600 0.93781500 0.16766900 1.0 Te Te52 1 0.33637900 0.42372500 0.16986000 1.0 Te Te53 1 0.83637900 0.07627500 0.33014000 1.0 Te Te54 1 0.42181700 0.83721800 0.99711600 1.0 Te Te55 1 0.93781500 0.65299400 0.83233100 1.0 Te Te56 1 0.66383600 0.42658300 0.33080500 1.0 Te Te57 1 0.44068000 0.65531900 0.49953200 1.0 Te Te58 1 0.92658300 0.16383600 0.83080500 1.0 Te Te59 1 0.43213200 0.16685400 0.83648500 1.0 Te Te60 1 0.16685400 0.43213200 0.66351500 1.0 Te Te61 1 0.16383600 0.92658300 0.66919500 1.0 Te Te62 1 0.16362100 0.07627500 0.83014000 1.0 Te Te63 1 0.06218500 0.65299400 0.33233100 1.0 Te Te64 1 0.84468100 0.94068000 0.49953200 1.0 Te Te65 1 0.93781500 0.34700600 0.33233100 1.0 Te Te66 1 0.92372500 0.16362100 0.16986000 1.0 Te Te67 1 0.84700600 0.43781500 0.83233100 1.0 Te Te68 1 0.33616400 0.42658300 0.83080500 1.0 Te Te69 1 0.94068000 0.15531900 0.50046800 1.0 Te Te70 1 0.06786800 0.33314600 0.16351500 1.0 Te Te71 1 0.83637900 0.92372500 0.83014000 1.0 Te Te72 1 0.15531900 0.94068000 0.99953200 1.0 Te Te73 1 0.16362100 0.92372500 0.33014000 1.0 Te Te74 1 0.42658300 0.33616400 0.66919500 1.0 Te Te75 1 0.43213200 0.83314600 0.33648500 1.0 Te Te76 1 0.33637900 0.57627500 0.66986000 1.0 Te Te77 1 0.44068000 0.34468100 0.99953200 1.0 Te Te78 1 0.65299400 0.93781500 0.66766900 1.0 Te Te79 1 0.33314600 0.06786800 0.33648500 1.0 Te Te80 1 0.83314600 0.56786800 0.66351500 1.0 Te Te81 1 0.66278200 0.07818300 0.49711600 1.0 Te Te82 1 0.33721800 0.92181700 0.49711600 1.0 Te Te83 1 0.56786800 0.83314600 0.83648500 1.0 Te Te84 1 0.66278200 0.92181700 0.99711600 1.0 Te Te85 1 0.66383600 0.57341700 0.83080500 1.0 Te Te86 1 0.16278200 0.57818300 0.50288400 1.0 Te Te87 1 0.16685400 0.56786800 0.16351500 1.0 Te Te88 1 0.66685400 0.93213200 0.33648500 1.0 Te Te89 1 0.84700600 0.56218500 0.33233100 1.0 Te Te90 1 0.66362100 0.42372500 0.66986000 1.0 Te Te91 1 0.92181700 0.66278200 0.50288400 1.0 Te Te92 1 0.56786800 0.16685400 0.33648500 1.0 Te Te93 1 0.57627500 0.66362100 0.33014000 1.0 Te Te94 1 0.57818300 0.83721800 0.49711600 1.0 Te Te95 1 0.93213200 0.33314600 0.66351500 1.0 Te Te96 1 0.55932000 0.34468100 0.49953200 1.0 Te Te97 1 0.55932000 0.65531900 0.99953200 1.0 Te Te98 1 0.83314600 0.43213200 0.16351500 1.0 Te Te99 1 0.83616400 0.92658300 0.16919500 1.0 Te Te100 1 0.42181700 0.16278200 0.49711600 1.0 Te Te101 1 0.57341700 0.66383600 0.66919500 1.0 Te Te102 1 0.66685400 0.06786800 0.83648500 1.0 Te Te103 1 0.07627500 0.16362100 0.66986000 1.0 Te Te104 1 0.15531900 0.05932000 0.49953200 1.0 Te Te105 1 0.42658300 0.66383600 0.16919500 1.0 Te Te106 1 0.56218500 0.84700600 0.16766900 1.0 Te Te107 1 0.92658300 0.83616400 0.33080500 1.0 Te Te108 1 0.93213200 0.66685400 0.16351500 1.0 Te Te109 1 0.65531900 0.44068000 0.00046800 1.0 Te Te110 1 0.16278200 0.42181700 0.00288400 1.0 Te Te111 1 0.07341700 0.16383600 0.33080500 1.0 Te Te112 1 0.83721800 0.42181700 0.50288400 1.0 Te Te113 1 0.57818300 0.16278200 0.99711600 1.0 Te Te114 1 0.33721800 0.07818300 0.99711600 1.0 Te Te115 1 0.94068000 0.84468100 0.00046800 1.0 Te Te116 1 0.07627500 0.83637900 0.16986000 1.0 Te Te117 1 0.16383600 0.07341700 0.16919500 1.0 Te Te118 1 0.34468100 0.55932000 0.00046800 1.0 Te Te119 1 0.92181700 0.33721800 0.00288400 1.0