data_CrFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeGe2
_chemical_formula_sum   'Cr1 Fe1 Ge2'
_cell_volume   53.49
_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
  Cr  Cr0  1  0.0  0.0  0.5  1.0
  Fe  Fe1  1  0.6  0.6  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.05  1.0
  Ge  Ge3  1  0.6  0.6  0.45  1.0

data_CrFeGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrFeGe2
_chemical_formula_sum   'Cr2 Fe2 Ge4'
_cell_volume   106.97
_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
  Cr  Cr0  2  0.0  0.0  0.5  1.0
  Fe  Fe1  2  0.1  0.5  0.98  1.0
  Ge  Ge2  2  0.0  0.0  0.05  1.0
  Ge  Ge3  2  0.1  0.5  0.45  1.0

Cr Fe Ge Ge
CrFeGe2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 1-coordinate geometry to two equivalent Ge(1) and four equivalent Ge(2) atoms. There is one shorter (2.32 Å) and one longer (2.87 Å) Cr(1)-Ge(1) bond length. There are a spread of Cr(1)-Ge(2) bond distances ranging from 1.81-2.76 Å. Fe(1) is bonded in a 6-coordinate geometry to two equivalent Ge(2) and four equivalent Ge(1) atoms. There is one shorter (2.42 Å) and one longer (2.78 Å) Fe(1)-Ge(2) bond length. There are a spread of Fe(1)-Ge(1) bond distances ranging from 1.83-2.77 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1) and four equivalent Fe(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to four equivalent Cr(1) and two equivalent Fe(1) atoms.