# generated using pymatgen data_Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44225600 _cell_length_b 7.44225600 _cell_length_c 26.98120400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb _chemical_formula_sum Nb80 _cell_volume 1494.41265065 _cell_formula_units_Z 80 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 0.793300 0.557416 0.994938 1 Nb Nb1 1 0.799901 0.599144 0.116302 1 Nb Nb2 1 0.801830 0.599754 0.239086 1 Nb Nb3 1 0.793345 0.596393 0.362492 1 Nb Nb4 1 0.442584 0.793300 0.994938 1 Nb Nb5 1 0.400856 0.799901 0.116302 1 Nb Nb6 1 0.400246 0.801830 0.239086 1 Nb Nb7 1 0.403607 0.793345 0.362492 1 Nb Nb8 1 0.557416 0.206700 0.994938 1 Nb Nb9 1 0.599144 0.200099 0.116302 1 Nb Nb10 1 0.599754 0.198170 0.239086 1 Nb Nb11 1 0.596393 0.206655 0.362492 1 Nb Nb12 1 0.206700 0.442584 0.994938 1 Nb Nb13 1 0.200099 0.400856 0.116302 1 Nb Nb14 1 0.198170 0.400246 0.239086 1 Nb Nb15 1 0.206655 0.403607 0.362492 1 Nb Nb16 1 0.000000 0.000000 0.990996 1 Nb Nb17 1 0.000000 0.000000 0.114293 1 Nb Nb18 1 0.000000 0.000000 0.238053 1 Nb Nb19 1 0.000000 0.000000 0.359979 1 Nb Nb20 1 0.500000 0.500000 0.056688 1 Nb Nb21 1 0.500000 0.500000 0.178613 1 Nb Nb22 1 0.500000 0.500000 0.302374 1 Nb Nb23 1 0.500000 0.500000 0.425671 1 Nb Nb24 1 0.096393 0.706655 0.054175 1 Nb Nb25 1 0.099754 0.698170 0.177580 1 Nb Nb26 1 0.099144 0.700099 0.300365 1 Nb Nb27 1 0.057416 0.706700 0.421729 1 Nb Nb28 1 0.293345 0.096393 0.054175 1 Nb Nb29 1 0.301830 0.099754 0.177580 1 Nb Nb30 1 0.299901 0.099144 0.300365 1 Nb Nb31 1 0.293300 0.057416 0.421729 1 Nb Nb32 1 0.903607 0.293345 0.054175 1 Nb Nb33 1 0.900246 0.301830 0.177580 1 Nb Nb34 1 0.900856 0.299901 0.300365 1 Nb Nb35 1 0.942584 0.293300 0.421729 1 Nb Nb36 1 0.706655 0.903607 0.054175 1 Nb Nb37 1 0.698170 0.900246 0.177580 1 Nb Nb38 1 0.700099 0.900856 0.300365 1 Nb Nb39 1 0.706700 0.942584 0.421729 1 Nb Nb40 1 0.557416 0.793300 0.494938 1 Nb Nb41 1 0.599144 0.799901 0.616302 1 Nb Nb42 1 0.599754 0.801830 0.739086 1 Nb Nb43 1 0.596393 0.793345 0.862492 1 Nb Nb44 1 0.206700 0.557416 0.494938 1 Nb Nb45 1 0.200099 0.599144 0.616302 1 Nb Nb46 1 0.198170 0.599754 0.739086 1 Nb Nb47 1 0.206655 0.596393 0.862492 1 Nb Nb48 1 0.793300 0.442584 0.494938 1 Nb Nb49 1 0.799901 0.400856 0.616302 1 Nb Nb50 1 0.801830 0.400246 0.739086 1 Nb Nb51 1 0.793345 0.403607 0.862492 1 Nb Nb52 1 0.442584 0.206700 0.494938 1 Nb Nb53 1 0.400856 0.200099 0.616302 1 Nb Nb54 1 0.400246 0.198170 0.739086 1 Nb Nb55 1 0.403607 0.206655 0.862492 1 Nb Nb56 1 0.000000 0.000000 0.490996 1 Nb Nb57 1 0.000000 0.000000 0.614293 1 Nb Nb58 1 0.000000 0.000000 0.738053 1 Nb Nb59 1 0.000000 0.000000 0.859979 1 Nb Nb60 1 0.500000 0.500000 0.556688 1 Nb Nb61 1 0.500000 0.500000 0.678613 1 Nb Nb62 1 0.500000 0.500000 0.802374 1 Nb Nb63 1 0.500000 0.500000 0.925671 1 Nb Nb64 1 0.096393 0.293345 0.554175 1 Nb Nb65 1 0.099754 0.301830 0.677580 1 Nb Nb66 1 0.099144 0.299901 0.800365 1 Nb Nb67 1 0.057416 0.293300 0.921729 1 Nb Nb68 1 0.706655 0.096393 0.554175 1 Nb Nb69 1 0.698170 0.099754 0.677580 1 Nb Nb70 1 0.700099 0.099144 0.800365 1 Nb Nb71 1 0.706700 0.057416 0.921729 1 Nb Nb72 1 0.293345 0.903607 0.554175 1 Nb Nb73 1 0.301830 0.900246 0.677580 1 Nb Nb74 1 0.299901 0.900856 0.800365 1 Nb Nb75 1 0.293300 0.942584 0.921729 1 Nb Nb76 1 0.903607 0.706655 0.554175 1 Nb Nb77 1 0.900246 0.698170 0.677580 1 Nb Nb78 1 0.900856 0.700099 0.800365 1 Nb Nb79 1 0.942584 0.706700 0.921729 1