data_Nb2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AuBr
_chemical_formula_sum   'Nb2 Au1 Br1'
_cell_volume   71.47
_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  Nb2  1  0.0  0.44  0.5  1.0
  Nb  Nb3  1  0.44  0.0  0.5  1.0
  Au  Au0  1  0.44  0.44  0.0  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Nb2AuBr
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.0
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Nb2AuBr
_chemical_formula_sum   'Nb4 Au2 Br2'
_cell_volume   142.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.22  0.22  1.0
  Au  Au1  2  0.0  0.0  0.44  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Nb Nb Au Br
Nb2AuBr is alpha iridium vanadium-derived structured and crystallizes in the orthorhombic Amm2 space group. Nb(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Br(1) atoms. There are two shorter (2.62 Å) and two longer (3.11 Å) Nb(1)-Au(1) bond lengths. There are two shorter (2.62 Å) and two longer (3.11 Å) Nb(1)-Br(1) bond lengths. Au(1) is bonded in a 8-coordinate geometry to eight equivalent Nb(1) atoms. Br(1) is bonded in a 8-coordinate geometry to eight equivalent Nb(1) atoms.