data_ZrFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   146.98
_cell_angle_beta   122.84
_cell_angle_gamma   67.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeGe2
_chemical_formula_sum   'Zr1 Fe1 Ge2'
_cell_volume   65.38
_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  0.0  0.0  0.36  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.51  0.47  1.0
  Ge  Ge2  1  0.49  0.0  0.89  1.0

data_ZrFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.02
_cell_length_c   5.25
_cell_angle_alpha   118.58
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeGe2
_chemical_formula_sum   'Zr1 Fe1 Ge2'
_cell_volume   65.38
_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  0.64  0.64  0.64  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.53  0.04  0.04  1.0
  Ge  Ge3  1  0.6  0.11  0.6  1.0

Zr Fe Ge Ge
ZrFeGe2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 4-coordinate geometry to one Fe(1), one Ge(1), and two equivalent Ge(2) atoms. The Zr(1)-Fe(1) bond length is 1.90 Å. The Zr(1)-Ge(1) bond length is 2.23 Å. There is one shorter (2.46 Å) and one longer (2.57 Å) Zr(1)-Ge(2) bond length. Fe(1) is bonded in a 3-coordinate geometry to one Zr(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. There is one shorter (1.48 Å) and one longer (1.53 Å) Fe(1)-Ge(1) bond length. There is one shorter (2.41 Å) and one longer (2.93 Å) Fe(1)-Ge(2) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Zr(1), two equivalent Fe(1), and two equivalent Ge(2) atoms. There is one shorter (2.56 Å) and one longer (2.73 Å) Ge(1)-Ge(2) bond length. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. Both Ge(2)-Ge(2) bond lengths are 2.98 Å.