data_SrZn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   142.85
_cell_angle_beta   142.85
_cell_angle_gamma   53.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Br
_chemical_formula_sum   'Sr1 Zn2 Br1'
_cell_volume   108.65
_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  Sr1  1  0.0  0.0  0.98  1.0
  Zn  Zn2  1  0.13  0.0  0.99  1.0
  Zn  Zn3  1  0.0  0.13  0.99  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrZn2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   116.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZn2Br
_chemical_formula_sum   'Sr2 Zn4 Br2'
_cell_volume   217.31
_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
  Sr  Sr0  2  0.48  0.5  0.98  1.0
  Zn  Zn1  4  0.42  0.43  0.86  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Sr Zn Zn Br
SrZn2Br crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrZn2Br clusters. Sr(1) is bonded in a distorted single-bond geometry to two equivalent Zn(1) and one Br(1) atom. Both Sr(1)-Zn(1) bond lengths are 0.82 Å. The Sr(1)-Br(1) bond length is 0.16 Å. Zn(1) is bonded in a single-bond geometry to one Sr(1) atom. Br(1) is bonded in a single-bond geometry to one Sr(1) atom.