data_Fe2ReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReGe
_chemical_formula_sum   'Fe2 Re1 Ge1'
_cell_volume   49.18
_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
  Fe  Fe0  1  0.38  0.38  0.98  1.0
  Fe  Fe1  1  0.38  0.38  0.5  1.0
  Re  Re3  1  0.0  0.0  0.24  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_Fe2ReGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2ReGe
_chemical_formula_sum   'Fe4 Re2 Ge2'
_cell_volume   98.36
_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
  Fe  Fe0  2  0.38  0.0  0.5  1.0
  Fe  Fe1  2  0.38  0.0  0.98  1.0
  Re  Re2  2  0.0  0.0  0.24  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Fe Fe Re Ge
Fe Fe Re Ge 0 3 o o + 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o o 
ReFe2Ge crystallizes in the monoclinic Cm space group. Re(1) is bonded in a distorted single-bond geometry to four Fe(2,2) and one Ge(1) atom. There are a spread of Re(1)-Fe(2,2) bond distances ranging from 2.24-2.96 Å. The Re(1)-Ge(1) bond length is 1.56 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Fe(2) and four equivalent Ge(1) atoms. The Fe(1)-Fe(2) bond length is 3.09 Å. There are a spread of Fe(1)-Ge(1) bond distances ranging from 1.47-2.43 Å. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Re(1), one Fe(1), and four equivalent Fe(2) atoms. All Fe(2)-Fe(2) bond lengths are 2.75 Å. In the third Fe site, Fe(2) is bonded in a 9-coordinate geometry to four equivalent Re(1), one Fe(1), and four equivalent Fe(2) atoms. The Fe(2)-Fe(1) bond length is 3.09 Å. Ge(1) is bonded in a 5-coordinate geometry to one Re(1) and four equivalent Fe(1) atoms.