[CIF]
data_NbB4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50505152
_cell_length_b   4.50505152
_cell_length_c   4.50505152
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB4Br
_chemical_formula_sum   'Nb1 B4 Br1'
_cell_volume   64.65234597
_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  2.55878467  2.55878467  2.55878467  1
  B  B1  1  3.81232029  2.55878467  3.81232029  1
  B  B2  1  2.55878467  3.81232029  3.81232029  1
  B  B3  1  3.81232029  3.81232029  2.55878467  1
  Br  Br4  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb5  1  4.77832872  4.77832872  4.77832872  1
[/CIF]
