data_SrMoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoBr2
_chemical_formula_sum   'Sr1 Mo1 Br2'
_cell_volume   106.52
_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  0.0  0.0  0.54  1.0
  Mo  Mo2  1  0.75  0.75  0.96  1.0
  Br  Br0  1  0.75  0.75  0.4  1.0
  Br  Br1  1  0.0  0.0  0.94  1.0

data_SrMoBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMoBr2
_chemical_formula_sum   'Sr2 Mo2 Br4'
_cell_volume   213.03
_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  0.0  0.0  0.54  1.0
  Mo  Mo1  2  0.25  0.5  0.96  1.0
  Br  Br2  2  0.0  0.0  0.94  1.0
  Br  Br3  2  0.25  0.5  0.4  1.0

Sr Mo Br Br
Sr Mo Br Br 0 2 - - o 1 3 + + o 
SrBrMoBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoBr clusters and two SrBr clusters. In each MoBr cluster, Mo(1) is bonded in a distorted single-bond geometry to one Br(2) atom. The Mo(1)-Br(2) bond length is 1.26 Å. Br(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. In each SrBr cluster, Sr(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Sr(1)-Br(1) bond length is 1.77 Å. Br(1) is bonded in a distorted single-bond geometry to one Sr(1) atom.