The structure described by Re5Fe2As12 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one As(5), one As(6), two equivalent As(3), and two equivalent As(4) atoms to form distorted ReAs6 octahedra that share corners with two equivalent Re(3)As6 octahedra, corners with five equivalent Fe(1)As6 octahedra,  a cornercorner with one As(1)Re3As tetrahedra, edges with two equivalent Re(1)As6 octahedra, and edges with two equivalent Re(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second Re site, Re(2) is bonded to one As(1), one As(4), two equivalent As(2), and two equivalent As(6) atoms to form distorted ReAs6 octahedra that share corners with two equivalent Re(3)As6 octahedra, corners with four equivalent Fe(1)As6 octahedra, edges with two equivalent Re(1)As6 octahedra, edges with two equivalent Re(2)As6 octahedra, and  a faceface with one Fe(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the third Re site, Re(3) is bonded to two equivalent As(3) and four equivalent As(1) atoms to form a mixture of corner and edge-sharing ReAs6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Fe(1) is bonded to one As(4), one As(6), two equivalent As(2), and two equivalent As(5) atoms to form FeAs6 octahedra that share corners with four equivalent Re(2)As6 octahedra, corners with five equivalent Re(1)As6 octahedra, corners with two equivalent As(1)Re3As tetrahedra, edges with two equivalent Fe(1)As6 octahedra, and  a faceface with one Re(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. There are six inequivalent As sites. In the first As site, As(6) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Re(2), and one Fe(1) atom. In the second As site, As(1) is bonded to one Re(2), two equivalent Re(3), and one As(5) atom to form distorted AsRe3As tetrahedra that share  a cornercorner with one Re(1)As6 octahedra, corners with two equivalent Fe(1)As6 octahedra, corners with four equivalent As(1)Re3As tetrahedra, and  an edgeedge with one As(1)Re3As tetrahedra. The corner-sharing octahedral tilt angles range from 69-74°. In the third As site, As(2) is bonded in a 5-coordinate geometry to two equivalent Re(2), two equivalent Fe(1), and one As(3) atom. In the fourth As site, As(3) is bonded in a 4-coordinate geometry to one Re(3), two equivalent Re(1), and one As(2) atom. In the fifth As site, As(4) is bonded in a 5-coordinate geometry to one Re(2), two equivalent Re(1), one Fe(1), and one As(4) atom. In the sixth As site, As(5) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Fe(1), and one As(1) atom. is represented by the CIF card [CIF]
data_Fe2Re5As12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.118
_cell_length_b   12.854
_cell_length_c   15.844
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.008
_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  0.500  0.127  0.345  1.0
  Fe  Fe1  1  0.500  0.873  0.655  1.0
  Fe  Fe2  1  0.000  0.373  0.845  1.0
  Fe  Fe3  1  0.000  0.627  0.155  1.0
  Re  Re4  1  0.500  0.317  0.104  1.0
  Re  Re5  1  0.500  0.683  0.896  1.0
  Re  Re6  1  0.000  0.183  0.604  1.0
  Re  Re7  1  0.000  0.817  0.396  1.0
  Re  Re8  1  0.500  0.916  0.261  1.0
  Re  Re9  1  0.500  0.084  0.739  1.0
  Re  Re10  1  0.000  0.584  0.761  1.0
  Re  Re11  1  0.000  0.416  0.239  1.0
  Re  Re12  1  0.500  0.500  0.500  1.0
  Re  Re13  1  0.000  0.000  0.000  1.0
  As  As14  1  0.500  0.905  0.097  1.0
  As  As15  1  0.500  0.095  0.903  1.0
  As  As16  1  0.000  0.595  0.597  1.0
  As  As17  1  0.000  0.405  0.403  1.0
  As  As18  1  0.500  0.570  0.260  1.0
  As  As19  1  0.500  0.430  0.740  1.0
  As  As20  1  0.000  0.930  0.760  1.0
  As  As21  1  0.000  0.070  0.240  1.0
  As  As22  1  0.500  0.656  0.406  1.0
  As  As23  1  0.500  0.344  0.594  1.0
  As  As24  1  0.000  0.844  0.906  1.0
  As  As25  1  0.000  0.156  0.094  1.0
  As  As26  1  0.500  0.970  0.421  1.0
  As  As27  1  0.500  0.030  0.579  1.0
  As  As28  1  0.000  0.530  0.921  1.0
  As  As29  1  0.000  0.470  0.079  1.0
  As  As30  1  0.500  0.708  0.059  1.0
  As  As31  1  0.500  0.292  0.941  1.0
  As  As32  1  0.000  0.792  0.559  1.0
  As  As33  1  0.000  0.208  0.441  1.0
  As  As34  1  0.500  0.729  0.741  1.0
  As  As35  1  0.500  0.271  0.259  1.0
  As  As36  1  0.000  0.771  0.241  1.0
  As  As37  1  0.000  0.229  0.759  1.0
[/CIF]
.
The structure described by Re5Fe2As12 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one As(5), one As(6), two equivalent As(3), and two equivalent As(4) atoms to form distorted ReAs6 octahedra that share corners with two equivalent Re(3)As6 octahedra, corners with five equivalent Fe(1)As6 octahedra,  a cornercorner with one As(1)Re3As tetrahedra, edges with two equivalent Re(1)As6 octahedra, and edges with two equivalent Re(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second Re site, Re(2) is bonded to one As(1), one As(4), two equivalent As(2), and two equivalent As(6) atoms to form distorted ReAs6 octahedra that share corners with two equivalent Re(3)As6 octahedra, corners with four equivalent Fe(1)As6 octahedra, edges with two equivalent Re(1)As6 octahedra, edges with two equivalent Re(2)As6 octahedra, and  a faceface with one Fe(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the third Re site, Re(3) is bonded to two equivalent As(3) and four equivalent As(1) atoms to form a mixture of corner and edge-sharing ReAs6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Fe(1) is bonded to one As(4), one As(6), two equivalent As(2), and two equivalent As(5) atoms to form FeAs6 octahedra that share corners with four equivalent Re(2)As6 octahedra, corners with five equivalent Re(1)As6 octahedra, corners with two equivalent As(1)Re3As tetrahedra, edges with two equivalent Fe(1)As6 octahedra, and  a faceface with one Re(2)As6 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. There are six inequivalent As sites. In the first As site, As(6) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Re(2), and one Fe(1) atom. In the second As site, As(1) is bonded to one Re(2), two equivalent Re(3), and one As(5) atom to form distorted AsRe3As tetrahedra that share  a cornercorner with one Re(1)As6 octahedra, corners with two equivalent Fe(1)As6 octahedra, corners with four equivalent As(1)Re3As tetrahedra, and  an edgeedge with one As(1)Re3As tetrahedra. The corner-sharing octahedral tilt angles range from 69-74°. In the third As site, As(2) is bonded in a 5-coordinate geometry to two equivalent Re(2), two equivalent Fe(1), and one As(3) atom. In the fourth As site, As(3) is bonded in a 4-coordinate geometry to one Re(3), two equivalent Re(1), and one As(2) atom. In the fifth As site, As(4) is bonded in a 5-coordinate geometry to one Re(2), two equivalent Re(1), one Fe(1), and one As(4) atom. In the sixth As site, As(5) is bonded in a 4-coordinate geometry to one Re(1), two equivalent Fe(1), and one As(1) atom. is represented by the CIF card [CIF]
data_Fe2Re5As12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.118
_cell_length_b   12.854
_cell_length_c   15.844
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   635.008
_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  0.500  0.127  0.345  1.0
  Fe  Fe1  1  0.500  0.873  0.655  1.0
  Fe  Fe2  1  0.000  0.373  0.845  1.0
  Fe  Fe3  1  0.000  0.627  0.155  1.0
  Re  Re4  1  0.500  0.317  0.104  1.0
  Re  Re5  1  0.500  0.683  0.896  1.0
  Re  Re6  1  0.000  0.183  0.604  1.0
  Re  Re7  1  0.000  0.817  0.396  1.0
  Re  Re8  1  0.500  0.916  0.261  1.0
  Re  Re9  1  0.500  0.084  0.739  1.0
  Re  Re10  1  0.000  0.584  0.761  1.0
  Re  Re11  1  0.000  0.416  0.239  1.0
  Re  Re12  1  0.500  0.500  0.500  1.0
  Re  Re13  1  0.000  0.000  0.000  1.0
  As  As14  1  0.500  0.905  0.097  1.0
  As  As15  1  0.500  0.095  0.903  1.0
  As  As16  1  0.000  0.595  0.597  1.0
  As  As17  1  0.000  0.405  0.403  1.0
  As  As18  1  0.500  0.570  0.260  1.0
  As  As19  1  0.500  0.430  0.740  1.0
  As  As20  1  0.000  0.930  0.760  1.0
  As  As21  1  0.000  0.070  0.240  1.0
  As  As22  1  0.500  0.656  0.406  1.0
  As  As23  1  0.500  0.344  0.594  1.0
  As  As24  1  0.000  0.844  0.906  1.0
  As  As25  1  0.000  0.156  0.094  1.0
  As  As26  1  0.500  0.970  0.421  1.0
  As  As27  1  0.500  0.030  0.579  1.0
  As  As28  1  0.000  0.530  0.921  1.0
  As  As29  1  0.000  0.470  0.079  1.0
  As  As30  1  0.500  0.708  0.059  1.0
  As  As31  1  0.500  0.292  0.941  1.0
  As  As32  1  0.000  0.792  0.559  1.0
  As  As33  1  0.000  0.208  0.441  1.0
  As  As34  1  0.500  0.729  0.741  1.0
  As  As35  1  0.500  0.271  0.259  1.0
  As  As36  1  0.000  0.771  0.241  1.0
  As  As37  1  0.000  0.229  0.759  1.0
[/CIF]
.