data_FeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2
_chemical_formula_sum   'Fe2 Ge4'
_cell_volume   94.93
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.0  0.62  0.33  1.0
  Fe  Fe1  1  0.27  0.31  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.65  1.0
  Ge  Ge4  1  0.27  0.31  0.33  1.0
  Ge  Ge5  1  0.0  0.62  0.98  1.0

data_FeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2
_chemical_formula_sum   'Fe2 Ge4'
_cell_volume   94.93
_cell_formula_units_Z   2
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
  Fe  Fe0  1  -0.0  0.62  0.33  1.0
  Fe  Fe1  1  0.27  0.31  0.98  1.0
  Ge  Ge2  1  -0.0  0.62  0.98  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Ge  Ge4  1  0.0  0.0  0.65  1.0
  Ge  Ge5  1  0.27  0.31  0.33  1.0

Fe Fe Ge Ge Ge Ge
Fe Fe Ge Ge Ge Ge 0 5 o o - 0 4 o o o 1 2 o o + 1 3 o o o 1 4 o o + 2 3 o o - 2 4 o o o 2 5 o - - 3 4 o o o 
FeGe2 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(2), one Ge(4), and three equivalent Ge(3) atoms. The Fe(1)-Ge(1) bond length is 2.43 Å. The Fe(1)-Ge(2) bond length is 2.43 Å. The Fe(1)-Ge(4) bond length is 1.84 Å. There are a spread of Fe(1)-Ge(3) bond distances ranging from 2.30-2.87 Å. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to one Ge(1), one Ge(2), one Ge(3), and one Ge(4) atom. The Fe(2)-Ge(1) bond length is 1.34 Å. The Fe(2)-Ge(2) bond length is 2.19 Å. The Fe(2)-Ge(3) bond length is 1.84 Å. The Fe(2)-Ge(4) bond length is 2.30 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), one Ge(2), one Ge(3), and one Ge(4) atom. The Ge(1)-Ge(2) bond length is 1.84 Å. The Ge(1)-Ge(3) bond length is 2.19 Å. The Ge(1)-Ge(4) bond length is 1.71 Å. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Ge(1), and one Ge(3) atom. The Ge(2)-Ge(3) bond length is 2.19 Å. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to one Fe(2), three equivalent Fe(1), one Ge(1), and one Ge(2) atom. In the fourth Ge site, Ge(4) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Ge(1) atom.