# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38979652
_cell_length_b   7.39941622
_cell_length_c   48.34813408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb64
_cell_volume   2590.27140601
_cell_formula_units_Z   64
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  0.668700  0.668513  0.297385  1
  Nb  Nb2  1  0.168700  0.168513  0.297385  1
  Nb  Nb3  1  0.051134  0.551095  0.320404  1
  Nb  Nb4  1  0.551134  0.051095  0.320404  1
  Nb  Nb5  1  0.918700  0.918513  0.297385  1
  Nb  Nb6  1  0.418700  0.418513  0.297385  1
  Nb  Nb7  1  0.301134  0.801095  0.320404  1
  Nb  Nb8  1  0.801134  0.301095  0.320404  1
  Nb  Nb9  1  0.456999  0.456889  0.348397  1
  Nb  Nb10  1  0.956999  0.956889  0.348397  1
  Nb  Nb11  1  0.872902  0.372669  0.376864  1
  Nb  Nb12  1  0.372902  0.872669  0.376864  1
  Nb  Nb13  1  0.706999  0.706889  0.348397  1
  Nb  Nb14  1  0.206999  0.206889  0.348397  1
  Nb  Nb15  1  0.122902  0.622669  0.376864  1
  Nb  Nb16  1  0.622902  0.122669  0.376864  1
  Nb  Nb17  1  0.292546  0.292227  0.405099  1
  Nb  Nb18  1  0.792546  0.792227  0.405099  1
  Nb  Nb19  1  0.708655  0.208224  0.432876  1
  Nb  Nb20  1  0.208655  0.708224  0.432876  1
  Nb  Nb21  1  0.542546  0.542227  0.405099  1
  Nb  Nb22  1  0.042546  0.042227  0.405099  1
  Nb  Nb23  1  0.958655  0.458224  0.432876  1
  Nb  Nb24  1  0.458655  0.958224  0.432876  1
  Nb  Nb25  1  0.125417  0.124884  0.460887  1
  Nb  Nb26  1  0.625417  0.624884  0.460887  1
  Nb  Nb27  1  0.542122  0.041486  0.488769  1
  Nb  Nb28  1  0.042122  0.541486  0.488769  1
  Nb  Nb29  1  0.375417  0.374884  0.460887  1
  Nb  Nb30  1  0.875417  0.874884  0.460887  1
  Nb  Nb31  1  0.792122  0.291486  0.488769  1
  Nb  Nb32  1  0.292122  0.791486  0.488769  1
  Nb  Nb33  1  0.958884  0.958145  0.516771  1
  Nb  Nb34  1  0.458884  0.458145  0.516771  1
  Nb  Nb35  1  0.375590  0.874748  0.544654  1
  Nb  Nb36  1  0.875590  0.374748  0.544654  1
  Nb  Nb37  1  0.208884  0.208145  0.516771  1
  Nb  Nb38  1  0.708884  0.708145  0.516771  1
  Nb  Nb39  1  0.625590  0.124748  0.544654  1
  Nb  Nb40  1  0.125590  0.624748  0.544654  1
  Nb  Nb41  1  0.792351  0.791407  0.572664  1
  Nb  Nb42  1  0.292351  0.291407  0.572664  1
  Nb  Nb43  1  0.208460  0.707404  0.600441  1
  Nb  Nb44  1  0.708460  0.207404  0.600441  1
  Nb  Nb45  1  0.042351  0.041407  0.572664  1
  Nb  Nb46  1  0.542351  0.541407  0.572664  1
  Nb  Nb47  1  0.458460  0.957404  0.600441  1
  Nb  Nb48  1  0.958460  0.457404  0.600441  1
  Nb  Nb49  1  0.628105  0.626962  0.628676  1
  Nb  Nb50  1  0.128105  0.126962  0.628676  1
  Nb  Nb51  1  0.044007  0.542742  0.657143  1
  Nb  Nb52  1  0.544007  0.042742  0.657143  1
  Nb  Nb53  1  0.878105  0.876962  0.628676  1
  Nb  Nb54  1  0.378105  0.376962  0.628676  1
  Nb  Nb55  1  0.294007  0.792742  0.657143  1
  Nb  Nb56  1  0.794007  0.292742  0.657143  1
  Nb  Nb57  1  0.449873  0.448536  0.685136  1
  Nb  Nb58  1  0.949873  0.948536  0.685136  1
  Nb  Nb59  1  0.832306  0.331118  0.708155  1
  Nb  Nb60  1  0.332306  0.831118  0.708155  1
  Nb  Nb61  1  0.699873  0.698536  0.685136  1
  Nb  Nb62  1  0.199873  0.198536  0.685136  1
  Nb  Nb63  1  0.082306  0.581118  0.708155  1
  Nb  Nb64  1  0.582306  0.081118  0.708155  1
