# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27361318
_cell_length_b   3.27361318
_cell_length_c   49.69128761
_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   Nb14
_cell_volume   532.518834401
_cell_formula_units_Z   14
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  1.004038  0.004038  0.283978  1
  Nb  Nb2  1  0.504038  0.504038  0.312685  1
  Nb  Nb3  1  1.004038  1.004038  0.347823  1
  Nb  Nb4  1  0.504038  0.504038  0.380626  1
  Nb  Nb5  1  1.004038  1.004038  0.414447  1
  Nb  Nb6  1  0.504038  0.504038  0.447788  1
  Nb  Nb7  1  1.004038  1.004038  0.481366  1
  Nb  Nb8  1  0.504038  0.504038  0.514800  1
  Nb  Nb9  1  1.004038  1.004038  0.548378  1
  Nb  Nb10  1  0.504038  0.504038  0.581719  1
  Nb  Nb11  1  1.004038  1.004038  0.615540  1
  Nb  Nb12  1  0.504038  0.504038  0.648343  1
  Nb  Nb13  1  1.004038  1.004038  0.683481  1
  Nb  Nb14  1  0.504038  0.504038  0.712188  1
