data_Sr2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.97
_cell_angle_alpha   97.06
_cell_angle_beta   97.06
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AsBr
_chemical_formula_sum   'Sr2 As1 Br1'
_cell_volume   121.11
_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  Sr2  1  0.62  0.03  0.95  1.0
  Sr  Sr3  1  0.62  0.97  0.95  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.94  0.0  0.0  1.0

data_Sr2AsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   90.01
_cell_angle_beta   97.06
_cell_angle_gamma   97.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AsBr
_chemical_formula_sum   'Sr2 As1 Br1'
_cell_volume   121.11
_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  0.95  0.62  0.03  1.0
  Sr  Sr1  1  0.95  0.62  0.97  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  -0.0  0.94  0.0  1.0

Sr Sr As Br
Sr2AsBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2AsBr cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Sr(2) and one Br(1) atom. The Sr(1)-Sr(2) bond length is 0.35 Å. The Sr(1)-Br(1) bond length is 1.74 Å. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to one Sr(1) and one Br(1) atom. The Sr(2)-Br(1) bond length is 1.74 Å. As(1) is bonded in a single-bond geometry to one Br(1) atom. The As(1)-Br(1) bond length is 0.35 Å. Br(1) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one As(1) atom.