data_YZrAlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrAlZn
_chemical_formula_sum   'Y1 Zr1 Al1 Zn1'
_cell_volume   86.18
_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
  Y  Y1  1  0.26  0.26  0.26  1.0
  Zr  Zr3  1  0.51  0.51  0.51  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.75  0.75  0.75  1.0

data_YZrAlZn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YZrAlZn
_chemical_formula_sum   'Y3 Zr3 Al3 Zn3'
_cell_volume   258.55
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Y  Y0  3  0.0  0.0  0.74  1.0
  Zr  Zr1  3  0.0  0.0  0.49  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Zn  Zn3  3  0.0  0.0  0.25  1.0

Y Zr Al Zn
YZrZnAl crystallizes in the trigonal R3m space group. Y(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1), six equivalent Zn(1), and four equivalent Al(1) atoms. There is one shorter (3.00 Å) and three longer (3.05 Å) Y(1)-Zr(1) bond lengths. There are three shorter (3.47 Å) and three longer (3.55 Å) Y(1)-Zn(1) bond lengths. There are three shorter (3.00 Å) and one longer (3.14 Å) Y(1)-Al(1) bond length. Zr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Y(1), four equivalent Zn(1), and six equivalent Al(1) atoms. There is one shorter (3.00 Å) and three longer (3.05 Å) Zr(1)-Zn(1) bond lengths. There are three shorter (3.47 Å) and three longer (3.55 Å) Zr(1)-Al(1) bond lengths. Zn(1) is bonded in a 14-coordinate geometry to six equivalent Y(1), four equivalent Zr(1), and four equivalent Al(1) atoms. There is one shorter (3.00 Å) and three longer (3.05 Å) Zn(1)-Al(1) bond lengths. Al(1) is bonded in a 14-coordinate geometry to four equivalent Y(1), six equivalent Zr(1), and four equivalent Zn(1) atoms.