# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27361318
_cell_length_b   6.54722637
_cell_length_c   52.99754739
_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   1135.90102082
_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  1.133806  0.823169  0.269096  1
  Nb  Nb2  1  0.633806  0.573169  0.242180  1
  Nb  Nb3  1  0.633806  0.073169  0.242180  1
  Nb  Nb4  1  1.133806  0.323169  0.269096  1
  Nb  Nb5  1  0.133806  0.323169  0.332799  1
  Nb  Nb6  1  0.633806  0.073169  0.302042  1
  Nb  Nb7  1  0.633806  0.573169  0.302042  1
  Nb  Nb8  1  1.133806  0.823169  0.332799  1
  Nb  Nb9  1  1.133806  0.823169  0.395771  1
  Nb  Nb10  1  0.633806  0.573169  0.364509  1
  Nb  Nb11  1  0.633806  0.073169  0.364509  1
  Nb  Nb12  1  1.133806  0.323169  0.395771  1
  Nb  Nb13  1  1.133806  0.323169  0.458602  1
  Nb  Nb14  1  0.633806  0.073169  0.427254  1
  Nb  Nb15  1  0.633806  0.573169  0.427254  1
  Nb  Nb16  1  0.133806  0.823169  0.458602  1
  Nb  Nb17  1  1.133806  0.823169  0.521347  1
  Nb  Nb18  1  0.633806  0.573169  0.490085  1
  Nb  Nb19  1  0.633806  0.073169  0.490085  1
  Nb  Nb20  1  1.133806  0.323169  0.521347  1
  Nb  Nb21  1  1.133806  0.323169  0.583814  1
  Nb  Nb22  1  0.633806  0.073169  0.553057  1
  Nb  Nb23  1  0.633806  0.573169  0.553057  1
  Nb  Nb24  1  0.133806  0.823169  0.583814  1
  Nb  Nb25  1  1.133806  0.823169  0.643676  1
  Nb  Nb26  1  0.633806  0.573169  0.616760  1
  Nb  Nb27  1  0.633806  0.073169  0.616760  1
  Nb  Nb28  1  1.133806  0.323169  0.643676  1
