data_Zr2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InGe
_chemical_formula_sum   'Zr2 In1 Ge1'
_cell_volume   82.5
_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
  Zr  Zr2  1  0.57  0.57  0.49  1.0
  Zr  Zr3  1  0.57  0.57  0.89  1.0
  In  In1  1  0.0  0.0  0.19  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Zr2InGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2InGe
_chemical_formula_sum   'Zr4 In2 Ge2'
_cell_volume   165.0
_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
  Zr  Zr0  2  0.07  0.5  0.49  1.0
  Zr  Zr1  2  0.07  0.5  0.89  1.0
  In  In2  2  0.0  0.0  0.19  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Zr Zr In Ge
Zr2InGe crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Zr(2), four equivalent Zr(1), and four equivalent In(1) atoms. The Zr(1)-Zr(2) bond length is 3.39 Å. All Zr(1)-Zr(1) bond lengths are 3.14 Å. There are a spread of Zr(1)-In(1) bond distances ranging from 3.14-3.55 Å. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one Zr(1) and four equivalent Ge(1) atoms. There are a spread of Zr(2)-Ge(1) bond distances ranging from 2.11-2.67 Å. In(1) is bonded in a single-bond geometry to four equivalent Zr(1) and one Ge(1) atom. The In(1)-Ge(1) bond length is 1.61 Å. Ge(1) is bonded in a 5-coordinate geometry to four equivalent Zr(2) and one In(1) atom.