# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16453132
_cell_length_b   3.48303612
_cell_length_c   59.59363713
_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   Nb20
_cell_volume   864.418400089
_cell_formula_units_Z   20
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  0.491492  0.116419  0.231244  1
  Nb  Nb2  1  0.006818  0.577222  0.231244  1
  Nb  Nb3  1  0.500023  0.599498  0.272336  1
  Nb  Nb4  1  0.998288  1.094144  0.272336  1
  Nb  Nb5  1  0.499024  0.097064  0.314170  1
  Nb  Nb6  1  -0.000713  0.596577  0.314170  1
  Nb  Nb7  1  0.499175  0.596842  0.355932  1
  Nb  Nb8  1  0.999136  1.096799  0.355932  1
  Nb  Nb9  1  0.499153  0.096822  0.397701  1
  Nb  Nb10  1  -0.000842  0.596819  0.397701  1
  Nb  Nb11  1  0.499153  0.596819  0.439468  1
  Nb  Nb12  1  -0.000842  0.096822  0.439468  1
  Nb  Nb13  1  0.499175  1.096799  0.481237  1
  Nb  Nb14  1  0.999136  0.596842  0.481237  1
  Nb  Nb15  1  0.499024  0.596577  0.522999  1
  Nb  Nb16  1  -0.000713  0.097064  0.522999  1
  Nb  Nb17  1  0.500023  1.094144  0.564833  1
  Nb  Nb18  1  0.998288  0.599498  0.564833  1
  Nb  Nb19  1  0.491492  0.577222  0.605925  1
  Nb  Nb20  1  0.006818  0.116419  0.605925  1
