data_Nb2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdBr
_chemical_formula_sum   'Nb2 Cd1 Br1'
_cell_volume   75.33
_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  0.49  0.0  0.52  1.0
  Nb  Nb3  1  0.0  0.49  0.52  1.0
  Cd  Cd1  1  0.49  0.49  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Nb2CdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2CdBr
_chemical_formula_sum   'Nb4 Cd2 Br2'
_cell_volume   150.65
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.24  0.52  1.0
  Cd  Cd1  2  0.49  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Nb Nb Cd Br
Nb Nb Cd Br 0 3 o o o 0 3 o o + 0 3 + o o 0 3 + o + 0 1 o o o 0 2 o - o 0 2 o - + 0 2 o o o 0 2 o o + 0 0 o o + 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 3 o o o 1 3 o o + 1 3 o + o 1 3 o + + 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
Nb2CdBr crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 4-coordinate geometry to four equivalent Cd(1) and four equivalent Br(1) atoms. There are a spread of Nb(1)-Cd(1) bond distances ranging from 2.82-3.02 Å. There are a spread of Nb(1)-Br(1) bond distances ranging from 2.82-3.02 Å. Cd(1) is bonded in a 8-coordinate geometry to eight equivalent Nb(1) atoms. Br(1) is bonded in a body-centered cubic geometry to eight equivalent Nb(1) atoms.