data_BaReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   121.29
_cell_angle_beta   121.29
_cell_angle_gamma   87.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReGe2
_chemical_formula_sum   'Ba1 Re1 Ge2'
_cell_volume   84.94
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.58  1.0
  Ge  Ge1  1  0.44  0.0  0.79  1.0
  Ge  Ge2  1  0.0  0.44  0.79  1.0

data_BaReGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   133.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaReGe2
_chemical_formula_sum   'Ba2 Re2 Ge4'
_cell_volume   169.88
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.58  1.0
  Ge  Ge2  4  0.28  0.28  0.35  1.0

Ba Re Ge Ge
BaReGe2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and two equivalent Ge(1) atoms. There is one shorter (2.09 Å) and one longer (2.88 Å) Ba(1)-Re(1) bond length. Both Ba(1)-Ge(1) bond lengths are 2.43 Å. Re(1) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent Ge(1) atoms. Both Re(1)-Ge(1) bond lengths are 1.85 Å. Ge(1) is bonded in a distorted linear geometry to one Ba(1) and one Re(1) atom.