# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69752220
_cell_length_b   4.69752220
_cell_length_c   47.12806386
_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   Nb22
_cell_volume   900.633116619
_cell_formula_units_Z   22
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  0.163562  0.581263  0.301484  1
  Nb  Nb2  1  0.830229  0.914597  0.316445  1
  Nb  Nb3  1  0.496895  0.247930  0.334354  1
  Nb  Nb4  1  0.163562  0.581263  0.354335  1
  Nb  Nb5  1  0.830229  0.914597  0.376235  1
  Nb  Nb6  1  0.496895  0.247930  0.395165  1
  Nb  Nb7  1  0.163562  0.581263  0.416166  1
  Nb  Nb8  1  0.830229  0.914597  0.436076  1
  Nb  Nb9  1  0.496895  0.247930  0.456085  1
  Nb  Nb10  1  0.163562  0.581263  0.476336  1
  Nb  Nb11  1  0.830229  0.914597  0.496544  1
  Nb  Nb12  1  0.496895  0.247930  0.516556  1
  Nb  Nb13  1  0.163562  0.581263  0.536763  1
  Nb  Nb14  1  0.830229  0.914597  0.557014  1
  Nb  Nb15  1  0.496895  0.247930  0.577023  1
  Nb  Nb16  1  0.163562  0.581263  0.596933  1
  Nb  Nb17  1  0.830229  0.914597  0.617934  1
  Nb  Nb18  1  0.496895  0.247930  0.636865  1
  Nb  Nb19  1  0.163562  0.581263  0.658764  1
  Nb  Nb20  1  0.830229  0.914597  0.678745  1
  Nb  Nb21  1  0.496895  0.247930  0.696654  1
  Nb  Nb22  1  0.163562  0.581263  0.711615  1
