data_Cr5Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Fe
_chemical_formula_sum   'Cr5 Fe1'
_cell_volume   76.56
_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  0.17  0.03  0.0  1.0
  Cr  Cr1  1  0.35  0.36  0.0  1.0
  Cr  Cr2  1  0.83  0.03  0.0  1.0
  Cr  Cr3  1  0.35  0.0  0.0  1.0
  Cr  Cr4  1  0.0  0.71  0.0  1.0
  Fe  Fe5  1  0.0  0.0  0.0  1.0

data_Cr5Fe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.7
_cell_length_b   4.01
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr5Fe
_chemical_formula_sum   'Cr5 Fe1'
_cell_volume   76.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.71  1.0
  Cr  Cr1  1  0.17  0.0  0.03  1.0
  Cr  Cr2  1  0.35  0.0  0.0  1.0
  Cr  Cr3  1  0.35  0.0  0.36  1.0
  Cr  Cr4  1  0.83  0.0  0.03  1.0
  Fe  Fe5  1  0.0  0.0  0.0  1.0

Cr Cr Cr Cr Cr Fe
Cr5Fe is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cr5Fe cluster. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to one Cr(2), one Cr(4), and one Fe(1) atom. The Cr(1)-Cr(2) bond length is 1.31 Å. The Cr(1)-Cr(4) bond length is 0.91 Å. The Cr(1)-Fe(1) bond length is 0.75 Å. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Cr(1) atom. In the third Cr site, Cr(3) is bonded in a single-bond geometry to one Fe(1) atom. The Cr(3)-Fe(1) bond length is 0.91 Å. In the fourth Cr site, Cr(4) is bonded in a distorted single-bond geometry to one Cr(1) atom. In the fifth Cr site, Cr(5) is bonded in a 1-coordinate geometry to one Fe(1) atom. The Cr(5)-Fe(1) bond length is 1.35 Å. Fe(1) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(3), and one Cr(5) atom.