data_Al2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ReBr
_chemical_formula_sum   'Al2 Re1 Br1'
_cell_volume   68.87
_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
  Al  Al0  1  0.46  0.0  0.42  1.0
  Al  Al1  1  0.0  0.46  0.42  1.0
  Re  Re3  1  0.46  0.46  0.0  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Al2ReBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2ReBr
_chemical_formula_sum   'Al4 Re2 Br2'
_cell_volume   137.73
_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
  Al  Al0  4  0.23  0.23  0.42  1.0
  Re  Re1  2  0.46  0.0  0.0  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Al Al Re Br
ReAl2Br crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 11-coordinate geometry to two equivalent Re(1), eight equivalent Al(1), and one Br(1) atom. Both Re(1)-Re(1) bond lengths are 2.83 Å. There are a spread of Re(1)-Al(1) bond distances ranging from 2.58-3.11 Å. The Re(1)-Br(1) bond length is 3.24 Å. Al(1) is bonded in a 10-coordinate geometry to four equivalent Re(1), two equivalent Al(1), and four equivalent Br(1) atoms. Both Al(1)-Al(1) bond lengths are 2.83 Å. There are a spread of Al(1)-Br(1) bond distances ranging from 2.58-3.11 Å. Br(1) is bonded in a 6-coordinate geometry to one Re(1) and eight equivalent Al(1) atoms.