[CIF]
data_Nb2BBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73628913
_cell_length_b   5.73628913
_cell_length_c   5.73628913
_cell_angle_alpha   144.33995360
_cell_angle_beta   144.33995360
_cell_angle_gamma   51.31924445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BBr
_chemical_formula_sum   'Nb2 B1 Br1'
_cell_volume   63.80519479
_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
  Br  Br1  1  1.75641836  0.00000000  2.58529506  1
  Nb  Nb2  1  0.00000000  -0.00000000  5.17059011  1
  Nb  Nb3  1  -0.00000000  1.75641836  2.58529506  1
[/CIF]
