data_KSrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrBr2
_chemical_formula_sum   'K1 Sr1 Br2'
_cell_volume   137.34
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.97  0.97  0.0  1.0
  Br  Br0  1  0.97  0.0  0.95  1.0
  Br  Br1  1  0.0  0.97  0.95  1.0

data_KSrBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.4
_cell_length_b   8.4
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSrBr2
_chemical_formula_sum   'K2 Sr2 Br4'
_cell_volume   274.67
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Sr  Sr1  2  0.47  0.5  0.0  1.0
  Br  Br2  4  0.48  0.48  0.95  1.0

K Sr Br Br
K Sr Br Br 0 1 - - o 0 2 - o - 0 3 o - - 1 3 + o - 1 2 o + - 2 3 + - o 
KSrBr2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KSrBr2 clusters. K(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Br(1) atoms. The K(1)-Sr(1) bond length is 0.25 Å. Both K(1)-Br(1) bond lengths are 0.28 Å. Sr(1) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Br(1) atoms. Both Sr(1)-Br(1) bond lengths are 0.28 Å. Br(1) is bonded in a 3-coordinate geometry to one K(1), one Sr(1), and one Br(1) atom. The Br(1)-Br(1) bond length is 0.25 Å.