data_NbB5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   49.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB5
_chemical_formula_sum   'Nb1 B5'
_cell_volume   51.83
_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
  Nb  Nb5  1  0.51  0.0  0.08  1.0
  B  B0  1  0.0  0.0  0.93  1.0
  B  B1  1  0.51  0.0  0.64  1.0
  B  B2  1  0.0  0.0  0.22  1.0
  B  B3  1  0.51  0.0  0.11  1.0
  B  B4  1  0.0  0.0  0.99  1.0

data_NbB5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.97
_cell_length_b   3.03
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   114.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbB5
_chemical_formula_sum   'Nb1 B5'
_cell_volume   51.83
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.08  0.5  0.08  1.0
  B  B1  1  0.11  0.5  0.11  1.0
  B  B2  1  0.22  0.0  0.22  1.0
  B  B3  1  0.64  0.5  0.64  1.0
  B  B4  1  0.93  0.0  0.93  1.0
  B  B5  1  0.99  0.0  0.99  1.0

Nb B B B B B