data_Cr2FeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   143.75
_cell_angle_beta   129.09
_cell_angle_gamma   64.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeRe
_chemical_formula_sum   'Cr2 Fe1 Re1'
_cell_volume   49.99
_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  0.06  0.02  1.0
  Cr  Cr1  1  0.49  0.0  0.04  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.06  1.0

data_Cr2FeRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.12
_cell_length_c   4.8
_cell_angle_alpha   115.46
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeRe
_chemical_formula_sum   'Cr2 Fe1 Re1'
_cell_volume   49.99
_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  0.45  0.96  0.45  1.0
  Cr  Cr1  1  0.98  0.04  0.04  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.94  0.94  0.94  1.0

Cr Cr Fe Re
Cr2ReFe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cr2ReFe cluster. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Fe(1) atom. The Cr(1)-Fe(1) bond length is 0.21 Å. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Re(1) atom. The Cr(2)-Re(1) bond length is 2.37 Å. Re(1) is bonded in a single-bond geometry to one Cr(2) and one Fe(1) atom. The Re(1)-Fe(1) bond length is 0.31 Å. Fe(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Re(1) atom.