data_CaSiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   153.96
_cell_angle_beta   153.96
_cell_angle_gamma   37.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiBr
_chemical_formula_sum   'Ca1 Si1 Br1'
_cell_volume   90.65
_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
  Ca  Ca1  1  0.0  0.0  0.05  1.0
  Si  Si2  1  0.0  0.0  0.39  1.0
  Br  Br0  1  0.0  0.0  0.06  1.0

data_CaSiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaSiBr
_chemical_formula_sum   'Ca2 Si2 Br2'
_cell_volume   181.3
_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
  Ca  Ca0  2  0.0  0.0  0.95  1.0
  Si  Si1  2  0.0  0.0  0.61  1.0
  Br  Br2  2  0.0  0.0  0.94  1.0

Ca Si Br
CaSiBr is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaSiBr clusters. Ca(1) is bonded in a single-bond geometry to one Br(1) atom. The Ca(1)-Br(1) bond length is 0.05 Å. Si(1) is bonded in a single-bond geometry to one Br(1) atom. The Si(1)-Br(1) bond length is 2.62 Å. Br(1) is bonded in a single-bond geometry to one Ca(1) and one Si(1) atom.