[CIF]
data_Nb2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41007996
_cell_length_b   4.41007996
_cell_length_c   2.66776932
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2B
_chemical_formula_sum   'Nb2 B1'
_cell_volume   44.93366389
_cell_formula_units_Z   1
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
  B  B0  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb1  1  -0.00000000  2.54616085  1.33388466  1
  Nb  Nb2  1  2.20503998  1.27308043  1.33388466  1
[/CIF]
