data_BaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2
_chemical_formula_sum   'Ba1 Ge2'
_cell_volume   89.71
_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
  Ge  Ge1  1  0.28  0.32  0.48  1.0
  Ge  Ge2  1  0.0  0.64  0.48  1.0

data_BaGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2
_chemical_formula_sum   'Ba1 Ge2'
_cell_volume   89.71
_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
  Ge  Ge1  1  0.0  0.64  0.48  1.0
  Ge  Ge2  1  0.28  0.32  0.48  1.0

Ba Ge Ge
Ba Ge Ge 0 2 o - - 0 2 o - o 0 1 o o - 0 1 o o o 1 2 o o o 1 2 o - o 1 2 + o o 
BaGe2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent Ge(1) and four equivalent Ge(2) atoms. There is one shorter (2.77 Å) and one longer (2.91 Å) Ba(1)-Ge(1) bond length. There are a spread of Ba(1)-Ge(2) bond distances ranging from 2.92-3.87 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and three equivalent Ge(2) atoms. There are a spread of Ge(1)-Ge(2) bond distances ranging from 2.38-2.84 Å. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to four equivalent Ba(1) and three equivalent Ge(1) atoms.