# generated using pymatgen data_Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83282799 _cell_length_b 8.20157378 _cell_length_c 75.91386203 _cell_angle_alpha 29.97198387 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb _chemical_formula_sum Nb48 _cell_volume 881.13097240 _cell_formula_units_Z 48 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 0.000289 0.000086 0.124982 1 Nb Nb1 1 0.999913 0.997499 0.187813 1 Nb Nb2 1 0.000087 0.002510 0.249689 1 Nb Nb3 1 0.999771 0.999965 0.312506 1 Nb Nb4 1 0.999538 0.007933 0.374004 1 Nb Nb5 1 0.335756 0.330610 0.125251 1 Nb Nb6 1 0.336150 0.332636 0.187565 1 Nb Nb7 1 0.336390 0.333655 0.249941 1 Nb Nb8 1 0.335492 0.334682 0.312247 1 Nb Nb9 1 0.339588 0.336309 0.374658 1 Nb Nb10 1 0.664615 0.665317 0.125253 1 Nb Nb11 1 0.663597 0.666419 0.187553 1 Nb Nb12 1 0.663795 0.667337 0.249938 1 Nb Nb13 1 0.664268 0.669405 0.312245 1 Nb Nb14 1 0.661160 0.669314 0.374644 1 Nb Nb15 1 0.335385 0.665317 0.625253 1 Nb Nb16 1 0.336403 0.666419 0.687553 1 Nb Nb17 1 0.336205 0.667337 0.749938 1 Nb Nb18 1 0.335732 0.669405 0.812245 1 Nb Nb19 1 0.338840 0.669314 0.874644 1 Nb Nb20 1 0.999711 0.000086 0.624982 1 Nb Nb21 1 0.000087 0.997499 0.687813 1 Nb Nb22 1 0.999913 0.002510 0.749689 1 Nb Nb23 1 0.000229 0.999965 0.812506 1 Nb Nb24 1 0.000462 0.007933 0.874004 1 Nb Nb25 1 0.664244 0.330610 0.625251 1 Nb Nb26 1 0.663850 0.332636 0.687565 1 Nb Nb27 1 0.663610 0.333655 0.749941 1 Nb Nb28 1 0.664508 0.334682 0.812247 1 Nb Nb29 1 0.660412 0.336309 0.874658 1 Nb Nb30 1 0.347100 0.322220 0.001666 1 Nb Nb31 1 0.347238 0.677708 0.935844 1 Nb Nb32 1 0.653413 0.650999 0.001679 1 Nb Nb33 1 0.653316 0.348980 0.935826 1 Nb Nb34 1 0.000471 0.998014 0.937741 1 Nb Nb35 1 0.000478 0.001955 0.999763 1 Nb Nb36 1 0.000496 0.992037 0.063498 1 Nb Nb37 1 0.660473 0.663697 0.062841 1 Nb Nb38 1 0.339046 0.330711 0.062854 1 Nb Nb39 1 0.346684 0.348980 0.435826 1 Nb Nb40 1 0.346587 0.650999 0.501679 1 Nb Nb41 1 0.652762 0.677708 0.435844 1 Nb Nb42 1 0.652900 0.322220 0.501666 1 Nb Nb43 1 0.999522 0.001955 0.499763 1 Nb Nb44 1 0.999529 0.998014 0.437741 1 Nb Nb45 1 0.999504 0.992037 0.563498 1 Nb Nb46 1 0.660954 0.330711 0.562854 1 Nb Nb47 1 0.339527 0.663697 0.562841 1