data_BaSr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Br
_chemical_formula_sum   'Ba1 Sr2 Br1'
_cell_volume   188.74
_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
  Ba  Ba0  1  0.0  0.0  0.96  1.0
  Sr  Sr2  1  0.21  0.0  0.44  1.0
  Sr  Sr3  1  0.21  0.0  0.49  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_BaSr2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Br
_chemical_formula_sum   'Ba1 Sr2 Br1'
_cell_volume   188.74
_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
  Ba  Ba0  1  0.0  0.0  0.96  1.0
  Sr  Sr1  1  0.21  0.0  0.44  1.0
  Sr  Sr2  1  0.21  0.0  0.49  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ba Sr Sr Br
Ba Sr Sr Br 0 3 o o + 1 2 o o o 
(Sr)2BaBr is Cubic alpha N2-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaBr cluster and one Sr cluster. In the BaBr cluster, Ba(1) is bonded in a single-bond geometry to one Br(1) atom. The Ba(1)-Br(1) bond length is 0.45 Å. Br(1) is bonded in a single-bond geometry to one Ba(1) atom. In the Sr cluster, there are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Sr(2) atom. The Sr(1)-Sr(2) bond length is 0.61 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Sr(1) atom.