# generated using pymatgen data_Nb16VGa3Te16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90247789 _cell_length_b 11.07219816 _cell_length_c 19.22139219 _cell_angle_alpha 89.99292972 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb16VGa3Te16 _chemical_formula_sum 'Nb16 V1 Ga3 Te16' _cell_volume 1043.36035350 _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 Nb Nb0 1 0.50240348 0.56459473 0.38127648 1.0 Nb Nb1 1 0.50240348 0.43540527 0.61872352 1.0 Nb Nb2 1 0.49955836 0.06481006 0.11909875 1.0 Nb Nb3 1 0.49955836 0.93518994 0.88090125 1.0 Nb Nb4 1 0.50262809 0.70688559 0.53677436 1.0 Nb Nb5 1 0.50262809 0.29311441 0.46322564 1.0 Nb Nb6 1 0.49947998 0.20765393 0.96330400 1.0 Nb Nb7 1 0.49947998 0.79234607 0.03669600 1.0 Nb Nb8 1 0.99782420 0.69173952 0.44188130 1.0 Nb Nb9 1 0.99782420 0.30826048 0.55811870 1.0 Nb Nb10 1 0.99963918 0.19226567 0.05839722 1.0 Nb Nb11 1 0.99963918 0.80773433 0.94160278 1.0 Nb Nb12 1 0.99876380 0.39948850 0.39002980 1.0 Nb Nb13 1 0.99876380 0.60051150 0.60997020 1.0 Nb Nb14 1 0.99968873 0.89897518 0.11031661 1.0 Nb Nb15 1 0.99968873 0.10102482 0.88968339 1.0 V V16 1 0.25044624 0.50000000 0.50000000 1.0 Ga Ga17 1 0.74975288 0.00000000 0.00000000 1.0 Ga Ga18 1 0.75019926 0.50000000 0.50000000 1.0 Ga Ga19 1 0.24963947 0.00000000 0.00000000 1.0 Te Te20 1 0.00342562 0.84437897 0.56173144 1.0 Te Te21 1 0.00342562 0.15562103 0.43826856 1.0 Te Te22 1 0.99943536 0.34421346 0.93863876 1.0 Te Te23 1 0.99943536 0.65578654 0.06136124 1.0 Te Te24 1 0.49837585 0.33311252 0.31670300 1.0 Te Te25 1 0.49837585 0.66688748 0.68329700 1.0 Te Te26 1 0.49943944 0.83304140 0.18301411 1.0 Te Te27 1 0.49943944 0.16695860 0.81698589 1.0 Te Te28 1 0.49690726 0.81992710 0.40315141 1.0 Te Te29 1 0.49690726 0.18007290 0.59684859 1.0 Te Te30 1 0.49958880 0.31963627 0.09684619 1.0 Te Te31 1 0.49958880 0.68036373 0.90315381 1.0 Te Te32 1 0.00315122 0.60638396 0.30184193 1.0 Te Te33 1 0.00315122 0.39361604 0.69815807 1.0 Te Te34 1 0.99967168 0.10601568 0.19805175 1.0 Te Te35 1 0.99967168 0.89398432 0.80194825 1.0