# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28368358
_cell_length_b   7.32926709
_cell_length_c   47.78582311
_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   Nb28
_cell_volume   1150.06111777
_cell_formula_units_Z   28
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  Nb1  1  0.038893  0.461764  0.315885  1
  Nb  Nb2  1  0.929731  0.052490  0.285302  1
  Nb  Nb3  1  0.470179  0.182081  0.331343  1
  Nb  Nb4  1  0.566039  0.785164  0.299127  1
  Nb  Nb5  1  0.997177  0.276674  0.378632  1
  Nb  Nb6  1  0.010104  0.874756  0.347452  1
  Nb  Nb7  1  0.505359  0.976069  0.393748  1
  Nb  Nb8  1  0.511307  0.576381  0.361099  1
  Nb  Nb9  1  0.003914  0.077440  0.440715  1
  Nb  Nb10  1  0.005901  0.676323  0.409087  1
  Nb  Nb11  1  0.504285  0.778147  0.456143  1
  Nb  Nb12  1  0.501821  0.378381  0.424882  1
  Nb  Nb13  1  0.003804  0.879709  0.503157  1
  Nb  Nb14  1  1.003322  0.478973  0.471862  1
  Nb  Nb15  1  0.504052  0.580225  0.518783  1
  Nb  Nb16  1  0.503571  0.179490  0.487488  1
  Nb  Nb17  1  0.005553  0.680818  0.565763  1
  Nb  Nb18  1  1.003089  0.281051  0.534502  1
  Nb  Nb19  1  0.501474  0.382876  0.581558  1
  Nb  Nb20  1  0.503461  0.981759  0.549930  1
  Nb  Nb21  1  0.996067  0.482817  0.629546  1
  Nb  Nb22  1  1.002015  0.083130  0.596897  1
  Nb  Nb23  1  0.497271  0.184443  0.643194  1
  Nb  Nb24  1  0.510198  0.782524  0.612013  1
  Nb  Nb25  1  0.941335  0.274035  0.691518  1
  Nb  Nb26  1  0.037196  0.877117  0.659302  1
  Nb  Nb27  1  0.577643  0.006709  0.705344  1
  Nb  Nb28  1  0.468481  0.597435  0.674760  1
