data_SrSiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiB2
_chemical_formula_sum   'Sr1 Si1 B2'
_cell_volume   57.98
_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  0.52  0.52  0.88  1.0
  Si  Si2  1  0.0  0.0  0.51  1.0
  B  B0  1  0.0  0.0  0.58  1.0
  B  B1  1  0.52  0.52  0.44  1.0

data_SrSiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSiB2
_chemical_formula_sum   'Sr2 Si2 B4'
_cell_volume   115.95
_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  0.02  0.5  0.88  1.0
  Si  Si1  2  0.0  0.0  0.51  1.0
  B  B2  2  0.0  0.0  0.58  1.0
  B  B3  2  0.02  0.5  0.44  1.0

Sr Si B B
SrB2Si crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1), two equivalent B(2), and four equivalent B(1) atoms. All Sr(1)-Sr(1) bond lengths are 3.04 Å. There is one shorter (2.80 Å) and one longer (3.47 Å) Sr(1)-B(2) bond length. There are a spread of Sr(1)-B(1) bond distances ranging from 2.80-2.92 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to four equivalent Sr(1) and one Si(1) atom. The B(1)-Si(1) bond length is 0.45 Å. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Si(1) atoms. There are a spread of B(2)-Si(1) bond distances ranging from 2.12-2.28 Å. Si(1) is bonded in a single-bond geometry to one B(1) and four equivalent B(2) atoms.