The material described by CoZrRe is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Re(3), two equivalent Re(1), two equivalent Re(2), three equivalent Co(1), and four equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to three equivalent Zr(1), one Re(1), two equivalent Re(3), four equivalent Re(2), two equivalent Co(2), and three equivalent Co(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Co(1), and four equivalent Co(2) atoms to form ReZr6Co6 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Re(1)Zr6Co6 cuboctahedra, edges with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra. In the second Re site, Re(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Re(2), two equivalent Re(3), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with six equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with two equivalent Re(1)Zr6Co6 cuboctahedra, faces with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. In the third Re site, Re(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Re(2), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, edges with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Re(1), one Re(3), two equivalent Re(2), and two equivalent Co(2) atoms to form CoZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with two equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(1)Zr6Co6 cuboctahedra, faces with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(2)Zr6Co4Re2 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Re(1), two equivalent Co(1), and two equivalent Co(2) atoms to form CoZr6Co4Re2 cuboctahedra that share corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, corners with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. is represented by the CIF file [CIF]
data_ZrCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.122
_cell_length_c   8.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.095
_symmetry_Int_Tables_number   1
_cell_volume   190.105
_cell_formula_units_Z   4
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  0.661  0.330  0.572  1.0
  Zr  Zr1  1  0.329  0.665  0.443  1.0
  Zr  Zr2  1  0.329  0.665  0.057  1.0
  Zr  Zr3  1  0.661  0.330  0.928  1.0
  Co  Co4  1  0.002  0.001  0.512  1.0
  Co  Co5  1  0.002  0.001  0.988  1.0
  Co  Co6  1  0.176  0.341  0.750  1.0
  Co  Co7  1  0.176  0.836  0.750  1.0
  Re  Re8  1  0.664  0.832  0.750  1.0
  Re  Re9  1  0.831  0.664  0.250  1.0
  Re  Re10  1  0.831  0.167  0.250  1.0
  Re  Re11  1  0.337  0.168  0.250  1.0
[/CIF]
.
The material described by CoZrRe is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Re(3), two equivalent Re(1), two equivalent Re(2), three equivalent Co(1), and four equivalent Co(2) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to three equivalent Zr(1), one Re(1), two equivalent Re(3), four equivalent Re(2), two equivalent Co(2), and three equivalent Co(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Co(1), and four equivalent Co(2) atoms to form ReZr6Co6 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Re(1)Zr6Co6 cuboctahedra, edges with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra. In the second Re site, Re(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Re(2), two equivalent Re(3), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with six equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with two equivalent Re(1)Zr6Co6 cuboctahedra, faces with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. In the third Re site, Re(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Re(2), and two equivalent Co(1) atoms to form ReZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with eight equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, edges with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, and faces with eight equivalent Re(2)Zr6Co2Re4 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Re(1), one Re(3), two equivalent Re(2), and two equivalent Co(2) atoms to form CoZr6Co2Re4 cuboctahedra that share corners with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with two equivalent Re(1)Zr6Co6 cuboctahedra, corners with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with six equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with two equivalent Co(1)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with three equivalent Re(1)Zr6Co6 cuboctahedra, faces with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, and faces with six equivalent Co(2)Zr6Co4Re2 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Re(1), two equivalent Co(1), and two equivalent Co(2) atoms to form CoZr6Co4Re2 cuboctahedra that share corners with four equivalent Re(3)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(1)Zr6Co2Re4 cuboctahedra, corners with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, corners with six equivalent Re(2)Zr6Co2Re4 cuboctahedra, edges with two equivalent Co(2)Zr6Co4Re2 cuboctahedra, edges with four equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(2)Zr6Co2Re4 cuboctahedra, faces with two equivalent Re(3)Zr6Co2Re4 cuboctahedra, faces with four equivalent Re(1)Zr6Co6 cuboctahedra, faces with four equivalent Co(2)Zr6Co4Re2 cuboctahedra, and faces with six equivalent Co(1)Zr6Co2Re4 cuboctahedra. is represented by the CIF file [CIF]
data_ZrCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.122
_cell_length_c   8.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.095
_symmetry_Int_Tables_number   1
_cell_volume   190.105
_cell_formula_units_Z   4
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  0.661  0.330  0.572  1.0
  Zr  Zr1  1  0.329  0.665  0.443  1.0
  Zr  Zr2  1  0.329  0.665  0.057  1.0
  Zr  Zr3  1  0.661  0.330  0.928  1.0
  Co  Co4  1  0.002  0.001  0.512  1.0
  Co  Co5  1  0.002  0.001  0.988  1.0
  Co  Co6  1  0.176  0.341  0.750  1.0
  Co  Co7  1  0.176  0.836  0.750  1.0
  Re  Re8  1  0.664  0.832  0.750  1.0
  Re  Re9  1  0.831  0.664  0.250  1.0
  Re  Re10  1  0.831  0.167  0.250  1.0
  Re  Re11  1  0.337  0.168  0.250  1.0
[/CIF]
.