data_Sr2Ge2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   132.15
_cell_angle_beta   132.15
_cell_angle_gamma   69.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ge2B
_chemical_formula_sum   'Sr2 Ge2 B1'
_cell_volume   163.31
_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  0.72  0.75  1.0
  Sr  Sr4  1  0.72  0.0  0.75  1.0
  Ge  Ge1  1  0.0  0.0  0.64  1.0
  Ge  Ge2  1  0.0  0.0  0.37  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sr2Ge2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   124.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2Ge2B
_chemical_formula_sum   'Sr4 Ge4 B2'
_cell_volume   326.61
_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  4  0.11  0.14  0.97  1.0
  Ge  Ge1  2  0.13  0.5  0.63  1.0
  Ge  Ge2  2  0.36  0.0  0.36  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Sr Sr Ge Ge B
Sr Sr Ge Ge B 0 4 o + + 1 4 + o + 2 3 o o o 
Sr2BGe2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a single-bond geometry to one B(1), one Ge(1), and one Ge(2) atom. The Sr(1)-B(1) bond length is 1.44 Å. The Sr(1)-Ge(1) bond length is 2.43 Å. The Sr(1)-Ge(2) bond length is 3.67 Å. B(1) is bonded in an L-shaped geometry to two equivalent Sr(1) and one Ge(2) atom. The B(1)-Ge(2) bond length is 2.46 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 1.83 Å. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one B(1), and one Ge(1) atom.