The compound described by Zr6Cu16Al7H9 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Cu(2), one H(1), and four equivalent H(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to three equivalent Cu(2), three equivalent Al(1), and one H(2) atom. In the second Cu site, Cu(2) is bonded in a 13-coordinate geometry to three equivalent Zr(1), three equivalent Cu(1), three equivalent Cu(2), one Al(2), and three equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent Cu(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to six equivalent Zr(1) atoms to form face-sharing HZr6 octahedra. In the second H site, H(2) is bonded to three equivalent Zr(1) and one Cu(1) atom to form HZr3Cu tetrahedra that share corners with three equivalent H(2)Zr3Cu tetrahedra, edges with three equivalent H(2)Zr3Cu tetrahedra, and  a faceface with one H(1)Zr6 octahedra. is represented by the CIF file [CIF]
data_Zr6Al7Cu16H9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.558
_cell_length_b   8.558
_cell_length_c   8.558
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   443.263
_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
  Zr  Zr0  1  0.200  0.800  0.200  1.0
  Zr  Zr1  1  0.200  0.800  0.800  1.0
  Zr  Zr2  1  0.800  0.200  0.200  1.0
  Zr  Zr3  1  0.800  0.800  0.200  1.0
  Zr  Zr4  1  0.200  0.200  0.800  1.0
  Zr  Zr5  1  0.800  0.200  0.800  1.0
  Al  Al6  1  0.000  0.500  0.000  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  Al  Al8  1  0.000  0.500  0.500  1.0
  Al  Al9  1  0.500  0.000  0.500  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Al  Al12  1  0.500  0.500  0.500  1.0
  Cu  Cu13  1  0.175  0.175  0.175  1.0
  Cu  Cu14  1  0.526  0.825  0.825  1.0
  Cu  Cu15  1  0.825  0.526  0.825  1.0
  Cu  Cu16  1  0.825  0.825  0.526  1.0
  Cu  Cu17  1  0.175  0.474  0.175  1.0
  Cu  Cu18  1  0.175  0.175  0.474  1.0
  Cu  Cu19  1  0.474  0.175  0.175  1.0
  Cu  Cu20  1  0.825  0.825  0.825  1.0
  Cu  Cu21  1  0.381  0.381  0.381  1.0
  Cu  Cu22  1  0.142  0.619  0.619  1.0
  Cu  Cu23  1  0.619  0.142  0.619  1.0
  Cu  Cu24  1  0.619  0.619  0.142  1.0
  Cu  Cu25  1  0.381  0.858  0.381  1.0
  Cu  Cu26  1  0.381  0.381  0.858  1.0
  Cu  Cu27  1  0.858  0.381  0.381  1.0
  Cu  Cu28  1  0.619  0.619  0.619  1.0
  H  H29  1  0.000  0.000  0.000  1.0
  H  H30  1  0.094  0.094  0.094  1.0
  H  H31  1  0.281  0.906  0.906  1.0
  H  H32  1  0.906  0.281  0.906  1.0
  H  H33  1  0.906  0.906  0.281  1.0
  H  H34  1  0.094  0.719  0.094  1.0
  H  H35  1  0.094  0.094  0.719  1.0
  H  H36  1  0.719  0.094  0.094  1.0
  H  H37  1  0.906  0.906  0.906  1.0
[/CIF]
.
The compound described by Zr6Cu16Al7H9 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Cu(2), one H(1), and four equivalent H(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to three equivalent Cu(2), three equivalent Al(1), and one H(2) atom. In the second Cu site, Cu(2) is bonded in a 13-coordinate geometry to three equivalent Zr(1), three equivalent Cu(1), three equivalent Cu(2), one Al(2), and three equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent Cu(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to six equivalent Zr(1) atoms to form face-sharing HZr6 octahedra. In the second H site, H(2) is bonded to three equivalent Zr(1) and one Cu(1) atom to form HZr3Cu tetrahedra that share corners with three equivalent H(2)Zr3Cu tetrahedra, edges with three equivalent H(2)Zr3Cu tetrahedra, and  a faceface with one H(1)Zr6 octahedra. is represented by the CIF file [CIF]
data_Zr6Al7Cu16H9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.558
_cell_length_b   8.558
_cell_length_c   8.558
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   443.263
_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
  Zr  Zr0  1  0.200  0.800  0.200  1.0
  Zr  Zr1  1  0.200  0.800  0.800  1.0
  Zr  Zr2  1  0.800  0.200  0.200  1.0
  Zr  Zr3  1  0.800  0.800  0.200  1.0
  Zr  Zr4  1  0.200  0.200  0.800  1.0
  Zr  Zr5  1  0.800  0.200  0.800  1.0
  Al  Al6  1  0.000  0.500  0.000  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  Al  Al8  1  0.000  0.500  0.500  1.0
  Al  Al9  1  0.500  0.000  0.500  1.0
  Al  Al10  1  0.000  0.000  0.500  1.0
  Al  Al11  1  0.500  0.500  0.000  1.0
  Al  Al12  1  0.500  0.500  0.500  1.0
  Cu  Cu13  1  0.175  0.175  0.175  1.0
  Cu  Cu14  1  0.526  0.825  0.825  1.0
  Cu  Cu15  1  0.825  0.526  0.825  1.0
  Cu  Cu16  1  0.825  0.825  0.526  1.0
  Cu  Cu17  1  0.175  0.474  0.175  1.0
  Cu  Cu18  1  0.175  0.175  0.474  1.0
  Cu  Cu19  1  0.474  0.175  0.175  1.0
  Cu  Cu20  1  0.825  0.825  0.825  1.0
  Cu  Cu21  1  0.381  0.381  0.381  1.0
  Cu  Cu22  1  0.142  0.619  0.619  1.0
  Cu  Cu23  1  0.619  0.142  0.619  1.0
  Cu  Cu24  1  0.619  0.619  0.142  1.0
  Cu  Cu25  1  0.381  0.858  0.381  1.0
  Cu  Cu26  1  0.381  0.381  0.858  1.0
  Cu  Cu27  1  0.858  0.381  0.381  1.0
  Cu  Cu28  1  0.619  0.619  0.619  1.0
  H  H29  1  0.000  0.000  0.000  1.0
  H  H30  1  0.094  0.094  0.094  1.0
  H  H31  1  0.281  0.906  0.906  1.0
  H  H32  1  0.906  0.281  0.906  1.0
  H  H33  1  0.906  0.906  0.281  1.0
  H  H34  1  0.094  0.719  0.094  1.0
  H  H35  1  0.094  0.094  0.719  1.0
  H  H36  1  0.719  0.094  0.094  1.0
  H  H37  1  0.906  0.906  0.906  1.0
[/CIF]
.