data_GeBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBRu2
_chemical_formula_sum   'Ge1 B1 Ru2'
_cell_volume   52.37
_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
  Ge  Ge1  1  0.48  0.48  0.55  1.0
  B  B0  1  0.0  0.0  0.34  1.0
  Ru  Ru2  1  0.0  0.0  0.03  1.0
  Ru  Ru3  1  0.48  0.48  0.02  1.0

data_GeBRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeBRu2
_chemical_formula_sum   'Ge2 B2 Ru4'
_cell_volume   104.74
_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
  Ge  Ge0  2  0.48  0.0  0.55  1.0
  B  B1  2  0.0  0.0  0.34  1.0
  Ru  Ru2  2  0.0  0.0  0.03  1.0
  Ru  Ru3  2  0.48  0.0  0.02  1.0

Ge B Ru Ru
Ge B Ru Ru 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 0 + o o 0 0 o + o 0 3 o o + 1 2 o o o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 
Ru2BGe crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Ru(2) and one B(1) atom to form a mixture of distorted corner and edge-sharing RuBRu4 square pyramids. There are a spread of Ru(1)-Ru(2) bond distances ranging from 2.03-2.17 Å. The Ru(1)-B(1) bond length is 1.86 Å. In the second Ru site, Ru(2) is bonded to four equivalent Ru(1) and one Ge(1) atom to form a mixture of distorted corner and edge-sharing RuGeRu4 square pyramids. The Ru(2)-Ge(1) bond length is 2.79 Å. B(1) is bonded in a distorted single-bond geometry to one Ru(1) and four equivalent Ge(1) atoms. There are a spread of B(1)-Ge(1) bond distances ranging from 2.37-2.49 Å. Ge(1) is bonded in a 5-coordinate geometry to one Ru(2) and four equivalent B(1) atoms.