data_ZrInGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   5.17
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInGe2
_chemical_formula_sum   'Zr1 In1 Ge2'
_cell_volume   82.38
_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  Zr3  1  0.51  0.0  0.2  1.0
  In  In2  1  0.27  0.58  0.62  1.0
  Ge  Ge0  1  0.17  0.58  0.08  1.0
  Ge  Ge1  1  0.61  0.0  0.84  1.0

data_ZrInGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.16
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInGe2
_chemical_formula_sum   'Zr1 In1 Ge2'
_cell_volume   82.38
_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  Zr0  1  0.49  0.8  0.0  1.0
  In  In1  1  0.73  0.38  0.42  1.0
  Ge  Ge2  1  0.39  0.16  0.0  1.0
  Ge  Ge3  1  0.83  0.92  0.42  1.0

Zr In Ge Ge
ZrInGe2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 1-coordinate geometry to one Ge(2) and three equivalent Ge(1) atoms. The Zr(1)-Ge(2) bond length is 1.89 Å. There are a spread of Zr(1)-Ge(1) bond distances ranging from 2.47-3.25 Å. In(1) is bonded in a 3-coordinate geometry to one Ge(2) and two equivalent Ge(1) atoms. The In(1)-Ge(2) bond length is 2.65 Å. There is one shorter (2.41 Å) and one longer (2.79 Å) In(1)-Ge(1) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to three equivalent Zr(1) and two equivalent In(1) atoms. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Zr(1) and one In(1) atom.