# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86794895
_cell_length_b   5.85060388
_cell_length_c   48.13562676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb36
_cell_volume   1431.14713189
_cell_formula_units_Z   36
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  0.491153  0.022684  0.296635  1
  Nb  Nb2  1  0.491153  0.522684  0.296635  1
  Nb  Nb3  1  0.991153  0.522684  0.296635  1
  Nb  Nb4  1  0.991153  0.022684  0.296635  1
  Nb  Nb5  1  0.825043  0.689913  0.344600  1
  Nb  Nb6  1  0.825043  0.189913  0.344600  1
  Nb  Nb7  1  0.325043  0.189913  0.344600  1
  Nb  Nb8  1  0.325043  0.689913  0.344600  1
  Nb  Nb9  1  0.190627  0.324889  0.396850  1
  Nb  Nb10  1  0.190627  0.824889  0.396850  1
  Nb  Nb11  1  0.690627  0.824889  0.396850  1
  Nb  Nb12  1  0.690627  0.324889  0.396850  1
  Nb  Nb13  1  0.523467  0.991165  0.446542  1
  Nb  Nb14  1  0.523467  0.491165  0.446542  1
  Nb  Nb15  1  0.023467  0.491165  0.446542  1
  Nb  Nb16  1  0.023467  0.991165  0.446542  1
  Nb  Nb17  1  0.891064  0.725903  0.498227  1
  Nb  Nb18  1  0.891064  0.225903  0.498227  1
  Nb  Nb19  1  0.391064  0.225903  0.498227  1
  Nb  Nb20  1  0.391064  0.725903  0.498227  1
  Nb  Nb21  1  0.155990  0.358594  0.549706  1
  Nb  Nb22  1  0.155990  0.858594  0.549706  1
  Nb  Nb23  1  0.655990  0.858594  0.549706  1
  Nb  Nb24  1  0.655990  0.358594  0.549706  1
  Nb  Nb25  1  0.524314  0.991198  0.601089  1
  Nb  Nb26  1  0.524314  0.491198  0.601089  1
  Nb  Nb27  1  0.024314  0.491198  0.601089  1
  Nb  Nb28  1  0.024314  0.991198  0.601089  1
  Nb  Nb29  1  0.792249  0.625362  0.653147  1
  Nb  Nb30  1  0.792249  0.125362  0.653147  1
  Nb  Nb31  1  0.292249  0.125362  0.653147  1
  Nb  Nb32  1  0.292249  0.625362  0.653147  1
  Nb  Nb33  1  0.126131  0.292583  0.701144  1
  Nb  Nb34  1  0.126131  0.792583  0.701144  1
  Nb  Nb35  1  0.626131  0.792583  0.701144  1
  Nb  Nb36  1  0.626131  0.292583  0.701144  1
