data_SrBi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBi2Br
_chemical_formula_sum   'Sr1 Bi2 Br1'
_cell_volume   133.75
_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  0.06  0.06  0.06  1.0
  Bi  Bi0  1  0.09  0.09  0.09  1.0
  Bi  Bi1  1  0.03  0.03  0.03  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_SrBi2Br
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   14.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBi2Br
_chemical_formula_sum   'Sr3 Bi6 Br3'
_cell_volume   401.26
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.94  1.0
  Bi  Bi1  3  0.0  0.0  0.91  1.0
  Bi  Bi2  3  0.0  0.0  0.97  1.0
  Br  Br3  3  0.0  0.0  0.0  1.0

Sr Bi Bi Br
SrBi2Br is Cyanogen Chloride-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three SrBi2Br clusters. Sr(1) is bonded in a linear geometry to one Bi(1) and one Bi(2) atom. The Sr(1)-Bi(1) bond length is 0.42 Å. The Sr(1)-Bi(2) bond length is 0.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Sr(1) atom. In the second Bi site, Bi(2) is bonded in a linear geometry to one Sr(1) and one Br(1) atom. The Bi(2)-Br(1) bond length is 0.42 Å. Br(1) is bonded in a single-bond geometry to one Bi(2) atom.