data_SrAl2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   4.54
_cell_angle_alpha   94.0
_cell_angle_beta   94.0
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Br
_chemical_formula_sum   'Sr1 Al2 Br1'
_cell_volume   114.77
_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
  Sr  Sr3  1  0.52  0.0  0.26  1.0
  Al  Al0  1  0.02  0.0  0.3  1.0
  Al  Al1  1  0.02  0.0  0.22  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_SrAl2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.54
_cell_length_c   6.95
_cell_angle_alpha   94.0
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Br
_chemical_formula_sum   'Sr1 Al2 Br1'
_cell_volume   114.77
_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
  Sr  Sr0  1  0.0  0.26  0.52  1.0
  Al  Al1  1  0.0  0.22  0.02  1.0
  Al  Al2  1  0.0  0.3  0.02  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Al Al Br
SrAl2Br crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1), two equivalent Al(1), two equivalent Al(2), and two equivalent Br(1) atoms. There are two shorter (3.79 Å) and two longer (4.54 Å) Sr(1)-Sr(1) bond lengths. There is one shorter (3.47 Å) and one longer (3.48 Å) Sr(1)-Al(1) bond length. There is one shorter (3.47 Å) and one longer (3.48 Å) Sr(1)-Al(2) bond length. There is one shorter (3.61 Å) and one longer (3.74 Å) Sr(1)-Br(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to two equivalent Sr(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 0.36 Å. In the second Al site, Al(2) is bonded in a distorted linear geometry to two equivalent Sr(1), one Al(1), and one Br(1) atom. The Al(2)-Br(1) bond length is 1.02 Å. Br(1) is bonded in a single-bond geometry to two equivalent Sr(1) and one Al(2) atom.