# generated using pymatgen
data_NbB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17539516
_cell_length_b   3.31238813
_cell_length_c   4.69254427
_cell_angle_alpha   110.66734353
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB
_chemical_formula_sum   'Nb2 B2'
_cell_volume   46.18050082
_cell_formula_units_Z   2
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  Nb0  1  0.75000000  0.14535576  0.29070952  1.0
  Nb  Nb1  1  0.25000000  0.85464424  0.70929048  1.0
  B  B2  1  0.75000000  0.44201387  0.88402873  1.0
  B  B3  1  0.25000000  0.55798613  0.11597127  1.0