data_SnGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.38
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeB2
_chemical_formula_sum   'Sn1 Ge1 B2'
_cell_volume   63.78
_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
  Sn  Sn3  1  0.92  0.0  0.45  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.56  0.69  0.53  1.0
  B  B1  1  0.28  0.69  0.36  1.0

data_SnGeB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.86
_cell_length_c   4.9
_cell_angle_alpha   90.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeB2
_chemical_formula_sum   'Sn1 Ge1 B2'
_cell_volume   63.78
_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
  Sn  Sn0  1  0.0  0.08  0.55  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.31  0.44  0.47  1.0
  B  B3  1  0.31  0.72  0.64  1.0

Sn Ge B B
Sn Ge B B 0 2 o - o 0 3 + - o 0 1 + o o 1 3 o - o 2 3 o o o 
B2SnGe crystallizes in the triclinic P1 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted bent 120 degrees geometry to one B(2) and two equivalent Sn(1) atoms. The B(1)-B(2) bond length is 1.36 Å. There is one shorter (1.79 Å) and one longer (2.74 Å) B(1)-Sn(1) bond length. In the second B site, B(2) is bonded in a distorted bent 120 degrees geometry to one B(1), two equivalent Sn(1), and one Ge(1) atom. There is one shorter (1.79 Å) and one longer (2.74 Å) B(2)-Sn(1) bond length. The B(2)-Ge(1) bond length is 2.34 Å. Sn(1) is bonded in a 6-coordinate geometry to two equivalent B(1), two equivalent B(2), and two equivalent Ge(1) atoms. There is one shorter (2.22 Å) and one longer (2.72 Å) Sn(1)-Ge(1) bond length. Ge(1) is bonded in a 3-coordinate geometry to one B(2) and two equivalent Sn(1) atoms.