data_Ba2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   4.67
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InGe
_chemical_formula_sum   'Ba2 In1 Ge1'
_cell_volume   153.04
_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  0.74  0.0  0.6  1.0
  Ba  Ba1  1  0.75  0.33  0.25  1.0
  In  In3  1  0.25  0.33  0.64  1.0
  Ge  Ge2  1  0.27  0.0  0.32  1.0

data_Ba2InGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   5.01
_cell_length_c   6.95
_cell_angle_alpha   109.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InGe
_chemical_formula_sum   'Ba2 In1 Ge1'
_cell_volume   153.04
_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  0.26  0.4  1.0
  Ba  Ba1  1  0.67  0.25  0.75  1.0
  In  In2  1  0.67  0.75  0.36  1.0
  Ge  Ge3  1  0.0  0.73  0.68  1.0

Ba Ba In Ge
Ba Ba In Ge 0 3 o o o 0 2 o o o 0 2 + o o 0 1 o o o 1 3 o o o 1 3 + o o 1 2 + o o 2 3 o o o 
Ba2InGe crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to four equivalent In(1) and one Ge(1) atom. There are a spread of Ba(1)-In(1) bond distances ranging from 2.91-4.03 Å. The Ba(1)-Ge(1) bond length is 2.52 Å. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to two equivalent In(1) and two equivalent Ge(1) atoms. There is one shorter (2.98 Å) and one longer (4.17 Å) Ba(2)-In(1) bond length. There is one shorter (2.94 Å) and one longer (3.03 Å) Ba(2)-Ge(1) bond length. In(1) is bonded in a 7-coordinate geometry to two equivalent Ba(2), four equivalent Ba(1), and one Ge(1) atom. The In(1)-Ge(1) bond length is 2.71 Å. Ge(1) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one In(1) atom.