The crystal structure described by ZrReSi2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Re(2), three equivalent Re(1), one Si(4), one Si(5), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to two equivalent Re(2), four equivalent Re(1), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), three equivalent Zr(1), one Re(2), one Si(2), one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms to form distorted ReZr5ReSi6 cuboctahedra that share corners with three equivalent Re(2)Zr4Re2Si6 cuboctahedra, corners with five equivalent Re(1)Zr5ReSi6 cuboctahedra,  an edgeedge with one Re(2)Zr4Re2Si6 cuboctahedra, edges with two equivalent Re(1)Zr5ReSi6 cuboctahedra, faces with two equivalent Re(2)Zr4Re2Si6 cuboctahedra, and faces with three equivalent Re(1)Zr5ReSi6 cuboctahedra. In the second Re site, Re(2) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Re(1), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(5) atoms to form ReZr4Re2Si6 cuboctahedra that share corners with six equivalent Re(1)Zr5ReSi6 cuboctahedra,  an edgeedge with one Re(2)Zr4Re2Si6 cuboctahedra, edges with two equivalent Re(1)Zr5ReSi6 cuboctahedra,  a faceface with one Re(2)Zr4Re2Si6 cuboctahedra, and faces with four equivalent Re(1)Zr5ReSi6 cuboctahedra. There are five inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Re(1), and one Si(2) atom. In the second Si site, Si(3) is bonded in a 7-coordinate geometry to four equivalent Zr(1), two equivalent Re(1), and one Si(3) atom. In the third Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Re(1), and two equivalent Re(2) atoms. In the fourth Si site, Si(5) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Re(1), and two equivalent Re(2) atoms. In the fifth Si site, Si(1) is bonded in a 7-coordinate geometry to one Zr(2), two equivalent Zr(1), one Re(2), two equivalent Re(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_ZrReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.099
_cell_length_b   9.334
_cell_length_c   10.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   763.544
_cell_formula_units_Z   12
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
  Zr  Zr0  1  0.749  0.827  0.046  1.0
  Zr  Zr1  1  0.749  0.173  0.954  1.0
  Zr  Zr2  1  0.251  0.673  0.546  1.0
  Zr  Zr3  1  0.251  0.327  0.454  1.0
  Zr  Zr4  1  0.251  0.173  0.954  1.0
  Zr  Zr5  1  0.251  0.827  0.046  1.0
  Zr  Zr6  1  0.749  0.327  0.454  1.0
  Zr  Zr7  1  0.749  0.673  0.546  1.0
  Zr  Zr8  1  0.500  0.831  0.320  1.0
  Zr  Zr9  1  0.500  0.169  0.680  1.0
  Zr  Zr10  1  0.500  0.669  0.820  1.0
  Zr  Zr11  1  0.500  0.331  0.180  1.0
  Re  Re12  1  0.750  0.586  0.258  1.0
  Re  Re13  1  0.750  0.414  0.742  1.0
  Re  Re14  1  0.250  0.914  0.758  1.0
  Re  Re15  1  0.250  0.086  0.242  1.0
  Re  Re16  1  0.250  0.414  0.742  1.0
  Re  Re17  1  0.250  0.586  0.258  1.0
  Re  Re18  1  0.750  0.086  0.242  1.0
  Re  Re19  1  0.750  0.914  0.758  1.0
  Re  Re20  1  0.744  0.000  0.500  1.0
  Re  Re21  1  0.256  0.500  0.000  1.0
  Re  Re22  1  0.256  0.000  0.500  1.0
  Re  Re23  1  0.744  0.500  0.000  1.0
  Si  Si24  1  0.854  0.833  0.319  1.0
  Si  Si25  1  0.854  0.167  0.681  1.0
  Si  Si26  1  0.146  0.667  0.819  1.0
  Si  Si27  1  0.146  0.333  0.181  1.0
  Si  Si28  1  0.146  0.167  0.681  1.0
  Si  Si29  1  0.146  0.833  0.319  1.0
  Si  Si30  1  0.854  0.333  0.181  1.0
  Si  Si31  1  0.854  0.667  0.819  1.0
  Si  Si32  1  0.500  0.534  0.383  1.0
  Si  Si33  1  0.500  0.466  0.617  1.0
  Si  Si34  1  0.500  0.966  0.883  1.0
  Si  Si35  1  0.500  0.034  0.117  1.0
  Si  Si36  1  0.000  0.528  0.381  1.0
  Si  Si37  1  0.000  0.472  0.619  1.0
  Si  Si38  1  0.000  0.972  0.881  1.0
  Si  Si39  1  0.000  0.028  0.119  1.0
  Si  Si40  1  0.500  0.632  0.100  1.0
  Si  Si41  1  0.500  0.368  0.900  1.0
  Si  Si42  1  0.500  0.868  0.600  1.0
  Si  Si43  1  0.500  0.132  0.400  1.0
  Si  Si44  1  0.000  0.625  0.092  1.0
  Si  Si45  1  0.000  0.375  0.908  1.0
  Si  Si46  1  0.000  0.875  0.592  1.0
  Si  Si47  1  0.000  0.125  0.408  1.0
[/CIF]
.
The crystal structure described by ZrReSi2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to one Re(2), three equivalent Re(1), one Si(4), one Si(5), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to two equivalent Re(2), four equivalent Re(1), two equivalent Si(1), two equivalent Si(2), and three equivalent Si(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), three equivalent Zr(1), one Re(2), one Si(2), one Si(3), one Si(4), one Si(5), and two equivalent Si(1) atoms to form distorted ReZr5ReSi6 cuboctahedra that share corners with three equivalent Re(2)Zr4Re2Si6 cuboctahedra, corners with five equivalent Re(1)Zr5ReSi6 cuboctahedra,  an edgeedge with one Re(2)Zr4Re2Si6 cuboctahedra, edges with two equivalent Re(1)Zr5ReSi6 cuboctahedra, faces with two equivalent Re(2)Zr4Re2Si6 cuboctahedra, and faces with three equivalent Re(1)Zr5ReSi6 cuboctahedra. In the second Re site, Re(2) is bonded to two equivalent Zr(1), two equivalent Zr(2), two equivalent Re(1), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(5) atoms to form ReZr4Re2Si6 cuboctahedra that share corners with six equivalent Re(1)Zr5ReSi6 cuboctahedra,  an edgeedge with one Re(2)Zr4Re2Si6 cuboctahedra, edges with two equivalent Re(1)Zr5ReSi6 cuboctahedra,  a faceface with one Re(2)Zr4Re2Si6 cuboctahedra, and faces with four equivalent Re(1)Zr5ReSi6 cuboctahedra. There are five inequivalent Si sites. In the first Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Re(1), and one Si(2) atom. In the second Si site, Si(3) is bonded in a 7-coordinate geometry to four equivalent Zr(1), two equivalent Re(1), and one Si(3) atom. In the third Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Re(1), and two equivalent Re(2) atoms. In the fourth Si site, Si(5) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Re(1), and two equivalent Re(2) atoms. In the fifth Si site, Si(1) is bonded in a 7-coordinate geometry to one Zr(2), two equivalent Zr(1), one Re(2), two equivalent Re(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_ZrReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.099
_cell_length_b   9.334
_cell_length_c   10.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   763.544
_cell_formula_units_Z   12
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
  Zr  Zr0  1  0.749  0.827  0.046  1.0
  Zr  Zr1  1  0.749  0.173  0.954  1.0
  Zr  Zr2  1  0.251  0.673  0.546  1.0
  Zr  Zr3  1  0.251  0.327  0.454  1.0
  Zr  Zr4  1  0.251  0.173  0.954  1.0
  Zr  Zr5  1  0.251  0.827  0.046  1.0
  Zr  Zr6  1  0.749  0.327  0.454  1.0
  Zr  Zr7  1  0.749  0.673  0.546  1.0
  Zr  Zr8  1  0.500  0.831  0.320  1.0
  Zr  Zr9  1  0.500  0.169  0.680  1.0
  Zr  Zr10  1  0.500  0.669  0.820  1.0
  Zr  Zr11  1  0.500  0.331  0.180  1.0
  Re  Re12  1  0.750  0.586  0.258  1.0
  Re  Re13  1  0.750  0.414  0.742  1.0
  Re  Re14  1  0.250  0.914  0.758  1.0
  Re  Re15  1  0.250  0.086  0.242  1.0
  Re  Re16  1  0.250  0.414  0.742  1.0
  Re  Re17  1  0.250  0.586  0.258  1.0
  Re  Re18  1  0.750  0.086  0.242  1.0
  Re  Re19  1  0.750  0.914  0.758  1.0
  Re  Re20  1  0.744  0.000  0.500  1.0
  Re  Re21  1  0.256  0.500  0.000  1.0
  Re  Re22  1  0.256  0.000  0.500  1.0
  Re  Re23  1  0.744  0.500  0.000  1.0
  Si  Si24  1  0.854  0.833  0.319  1.0
  Si  Si25  1  0.854  0.167  0.681  1.0
  Si  Si26  1  0.146  0.667  0.819  1.0
  Si  Si27  1  0.146  0.333  0.181  1.0
  Si  Si28  1  0.146  0.167  0.681  1.0
  Si  Si29  1  0.146  0.833  0.319  1.0
  Si  Si30  1  0.854  0.333  0.181  1.0
  Si  Si31  1  0.854  0.667  0.819  1.0
  Si  Si32  1  0.500  0.534  0.383  1.0
  Si  Si33  1  0.500  0.466  0.617  1.0
  Si  Si34  1  0.500  0.966  0.883  1.0
  Si  Si35  1  0.500  0.034  0.117  1.0
  Si  Si36  1  0.000  0.528  0.381  1.0
  Si  Si37  1  0.000  0.472  0.619  1.0
  Si  Si38  1  0.000  0.972  0.881  1.0
  Si  Si39  1  0.000  0.028  0.119  1.0
  Si  Si40  1  0.500  0.632  0.100  1.0
  Si  Si41  1  0.500  0.368  0.900  1.0
  Si  Si42  1  0.500  0.868  0.600  1.0
  Si  Si43  1  0.500  0.132  0.400  1.0
  Si  Si44  1  0.000  0.625  0.092  1.0
  Si  Si45  1  0.000  0.375  0.908  1.0
  Si  Si46  1  0.000  0.875  0.592  1.0
  Si  Si47  1  0.000  0.125  0.408  1.0
[/CIF]
.