The material structure described by Zr6Cu16Al7H3 crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), one Cu(8), one Al(3), one H(1), and one H(2) atom. In the second Zr site, Zr(2) is bonded in a distorted L-shaped geometry to two equivalent Cu(4), two equivalent Cu(5), two equivalent Cu(8), and two equivalent H(2) atoms. In the third Zr site, Zr(3) is bonded in a single-bond geometry to two equivalent Cu(2), two equivalent Cu(3), two equivalent Cu(6), two equivalent Cu(7), and one H(1) atom. There are eight inequivalent Cu sites. In the first Cu site, Cu(4) is bonded in a 12-coordinate geometry to one Zr(2), two equivalent Zr(1), one Cu(4), one Cu(8), two equivalent Cu(3), two equivalent Cu(7), one Al(3), and two equivalent Al(1) atoms. In the second Cu site, Cu(5) is bonded in a 13-coordinate geometry to one Zr(2), two equivalent Zr(1), one Cu(1), one Cu(7), two equivalent Cu(2), two equivalent Cu(8), one Al(3), one Al(4), and two equivalent Al(1) atoms. In the third Cu site, Cu(6) is bonded in a 13-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(2), one Cu(8), two equivalent Cu(1), two equivalent Cu(7), one Al(2), one Al(4), and two equivalent Al(1) atoms. In the fourth Cu site, Cu(7) is bonded in a 13-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(3), one Cu(5), two equivalent Cu(4), two equivalent Cu(6), one Al(3), one Al(4), and two equivalent Al(1) atoms. In the fifth Cu site, Cu(8) is bonded in a 13-coordinate geometry to one Zr(2), two equivalent Zr(1), one Cu(4), one Cu(6), two equivalent Cu(3), two equivalent Cu(5), one Al(2), one Al(4), and two equivalent Al(1) atoms. In the sixth Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cu(5), two equivalent Cu(2), two equivalent Cu(6), one Al(2), two equivalent Al(1), and one H(2) atom. In the seventh Cu site, Cu(2) is bonded in a 12-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(2), one Cu(6), two equivalent Cu(1), two equivalent Cu(5), one Al(3), and two equivalent Al(1) atoms. In the eighth Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(3), one Cu(7), two equivalent Cu(4), two equivalent Cu(8), one Al(2), and two equivalent Al(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(8) atom. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(6), and two equivalent Cu(8) atoms. In the third Al site, Al(3) is bonded to four equivalent Zr(1), two equivalent Cu(2), two equivalent Cu(4), two equivalent Cu(5), and two equivalent Cu(7) atoms to form distorted AlZr4Cu8 cuboctahedra that share corners with four equivalent H(2)Zr3Cu tetrahedra and edges with two equivalent H(1)Zr5 square pyramids. In the fourth Al site, Al(4) is bonded in a body-centered cubic geometry to two equivalent Cu(5), two equivalent Cu(6), two equivalent Cu(7), and two equivalent Cu(8) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to one Zr(3) and four equivalent Zr(1) atoms to form distorted HZr5 square pyramids that share edges with two equivalent Al(3)Zr4Cu8 cuboctahedra and edges with two equivalent H(2)Zr3Cu tetrahedra. In the second H site, H(2) is bonded to one Zr(2), two equivalent Zr(1), and one Cu(1) atom to form HZr3Cu tetrahedra that share corners with two equivalent Al(3)Zr4Cu8 cuboctahedra,  a cornercorner with one H(2)Zr3Cu tetrahedra, and  an edgeedge with one H(1)Zr5 square pyramid. is represented by the CIF file [CIF]
data_Zr6Al7Cu16H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.507
_cell_length_b   8.507
_cell_length_c   8.507
_cell_angle_alpha   120.337
_cell_angle_beta   120.093
_cell_angle_gamma   89.628
_symmetry_Int_Tables_number   1
_cell_volume   433.942
_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  0.797  0.204  0.999  1.0
  Zr  Zr1  1  0.797  0.798  0.594  1.0
  Zr  Zr2  1  0.788  0.788  0.000  1.0
  Zr  Zr3  1  0.204  0.798  0.001  1.0
  Zr  Zr4  1  0.204  0.204  0.406  1.0
  Zr  Zr5  1  0.207  0.207  0.000  1.0
  Al  Al6  1  0.498  0.497  0.497  1.0
  Al  Al7  1  0.498  0.001  0.002  1.0
  Al  Al8  1  0.500  0.000  0.500  1.0
  Al  Al9  1  1.000  0.001  0.503  1.0
  Al  Al10  1  1.000  0.497  0.998  1.0
  Al  Al11  1  0.999  0.499  0.500  1.0
  Al  Al12  1  0.500  0.500  0.000  1.0
  Cu  Cu13  1  0.470  0.822  0.648  1.0
  Cu  Cu14  1  0.175  0.822  0.352  1.0
  Cu  Cu15  1  0.169  0.827  0.659  1.0
  Cu  Cu16  1  0.169  0.510  0.341  1.0
  Cu  Cu17  1  0.514  0.171  0.343  1.0
  Cu  Cu18  1  0.827  0.171  0.657  1.0
  Cu  Cu19  1  0.829  0.169  0.340  1.0
  Cu  Cu20  1  0.829  0.490  0.660  1.0
  Cu  Cu21  1  0.859  0.619  0.239  1.0
  Cu  Cu22  1  0.380  0.619  0.761  1.0
  Cu  Cu23  1  0.381  0.620  0.239  1.0
  Cu  Cu24  1  0.381  0.142  0.761  1.0
  Cu  Cu25  1  0.142  0.381  0.761  1.0
  Cu  Cu26  1  0.619  0.381  0.239  1.0
  Cu  Cu27  1  0.619  0.379  0.760  1.0
  Cu  Cu28  1  0.619  0.858  0.240  1.0
  H  H29  1  0.030  0.030  0.000  1.0
  H  H30  1  0.728  0.908  0.820  1.0
  H  H31  1  0.088  0.908  0.180  1.0
[/CIF]
.
The material structure described by Zr6Cu16Al7H3 crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), one Cu(8), one Al(3), one H(1), and one H(2) atom. In the second Zr site, Zr(2) is bonded in a distorted L-shaped geometry to two equivalent Cu(4), two equivalent Cu(5), two equivalent Cu(8), and two equivalent H(2) atoms. In the third Zr site, Zr(3) is bonded in a single-bond geometry to two equivalent Cu(2), two equivalent Cu(3), two equivalent Cu(6), two equivalent Cu(7), and one H(1) atom. There are eight inequivalent Cu sites. In the first Cu site, Cu(4) is bonded in a 12-coordinate geometry to one Zr(2), two equivalent Zr(1), one Cu(4), one Cu(8), two equivalent Cu(3), two equivalent Cu(7), one Al(3), and two equivalent Al(1) atoms. In the second Cu site, Cu(5) is bonded in a 13-coordinate geometry to one Zr(2), two equivalent Zr(1), one Cu(1), one Cu(7), two equivalent Cu(2), two equivalent Cu(8), one Al(3), one Al(4), and two equivalent Al(1) atoms. In the third Cu site, Cu(6) is bonded in a 13-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(2), one Cu(8), two equivalent Cu(1), two equivalent Cu(7), one Al(2), one Al(4), and two equivalent Al(1) atoms. In the fourth Cu site, Cu(7) is bonded in a 13-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(3), one Cu(5), two equivalent Cu(4), two equivalent Cu(6), one Al(3), one Al(4), and two equivalent Al(1) atoms. In the fifth Cu site, Cu(8) is bonded in a 13-coordinate geometry to one Zr(2), two equivalent Zr(1), one Cu(4), one Cu(6), two equivalent Cu(3), two equivalent Cu(5), one Al(2), one Al(4), and two equivalent Al(1) atoms. In the sixth Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cu(5), two equivalent Cu(2), two equivalent Cu(6), one Al(2), two equivalent Al(1), and one H(2) atom. In the seventh Cu site, Cu(2) is bonded in a 12-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(2), one Cu(6), two equivalent Cu(1), two equivalent Cu(5), one Al(3), and two equivalent Al(1) atoms. In the eighth Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Zr(3), two equivalent Zr(1), one Cu(3), one Cu(7), two equivalent Cu(4), two equivalent Cu(8), one Al(2), and two equivalent Al(1) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(8) atom. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(6), and two equivalent Cu(8) atoms. In the third Al site, Al(3) is bonded to four equivalent Zr(1), two equivalent Cu(2), two equivalent Cu(4), two equivalent Cu(5), and two equivalent Cu(7) atoms to form distorted AlZr4Cu8 cuboctahedra that share corners with four equivalent H(2)Zr3Cu tetrahedra and edges with two equivalent H(1)Zr5 square pyramids. In the fourth Al site, Al(4) is bonded in a body-centered cubic geometry to two equivalent Cu(5), two equivalent Cu(6), two equivalent Cu(7), and two equivalent Cu(8) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to one Zr(3) and four equivalent Zr(1) atoms to form distorted HZr5 square pyramids that share edges with two equivalent Al(3)Zr4Cu8 cuboctahedra and edges with two equivalent H(2)Zr3Cu tetrahedra. In the second H site, H(2) is bonded to one Zr(2), two equivalent Zr(1), and one Cu(1) atom to form HZr3Cu tetrahedra that share corners with two equivalent Al(3)Zr4Cu8 cuboctahedra,  a cornercorner with one H(2)Zr3Cu tetrahedra, and  an edgeedge with one H(1)Zr5 square pyramid. is represented by the CIF file [CIF]
data_Zr6Al7Cu16H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.507
_cell_length_b   8.507
_cell_length_c   8.507
_cell_angle_alpha   120.337
_cell_angle_beta   120.093
_cell_angle_gamma   89.628
_symmetry_Int_Tables_number   1
_cell_volume   433.942
_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  0.797  0.204  0.999  1.0
  Zr  Zr1  1  0.797  0.798  0.594  1.0
  Zr  Zr2  1  0.788  0.788  0.000  1.0
  Zr  Zr3  1  0.204  0.798  0.001  1.0
  Zr  Zr4  1  0.204  0.204  0.406  1.0
  Zr  Zr5  1  0.207  0.207  0.000  1.0
  Al  Al6  1  0.498  0.497  0.497  1.0
  Al  Al7  1  0.498  0.001  0.002  1.0
  Al  Al8  1  0.500  0.000  0.500  1.0
  Al  Al9  1  1.000  0.001  0.503  1.0
  Al  Al10  1  1.000  0.497  0.998  1.0
  Al  Al11  1  0.999  0.499  0.500  1.0
  Al  Al12  1  0.500  0.500  0.000  1.0
  Cu  Cu13  1  0.470  0.822  0.648  1.0
  Cu  Cu14  1  0.175  0.822  0.352  1.0
  Cu  Cu15  1  0.169  0.827  0.659  1.0
  Cu  Cu16  1  0.169  0.510  0.341  1.0
  Cu  Cu17  1  0.514  0.171  0.343  1.0
  Cu  Cu18  1  0.827  0.171  0.657  1.0
  Cu  Cu19  1  0.829  0.169  0.340  1.0
  Cu  Cu20  1  0.829  0.490  0.660  1.0
  Cu  Cu21  1  0.859  0.619  0.239  1.0
  Cu  Cu22  1  0.380  0.619  0.761  1.0
  Cu  Cu23  1  0.381  0.620  0.239  1.0
  Cu  Cu24  1  0.381  0.142  0.761  1.0
  Cu  Cu25  1  0.142  0.381  0.761  1.0
  Cu  Cu26  1  0.619  0.381  0.239  1.0
  Cu  Cu27  1  0.619  0.379  0.760  1.0
  Cu  Cu28  1  0.619  0.858  0.240  1.0
  H  H29  1  0.030  0.030  0.000  1.0
  H  H30  1  0.728  0.908  0.820  1.0
  H  H31  1  0.088  0.908  0.180  1.0
[/CIF]
.