data_SrZrAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.59
_cell_angle_alpha   106.48
_cell_angle_beta   106.48
_cell_angle_gamma   30.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrAl2
_chemical_formula_sum   'Sr1 Zr1 Al2'
_cell_volume   93.98
_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
  Sr  Sr2  1  0.05  0.0  0.95  1.0
  Zr  Zr3  1  0.97  0.0  0.95  1.0
  Al  Al0  1  0.99  0.0  0.2  1.0
  Al  Al1  1  0.01  0.0  0.91  1.0

data_SrZrAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.59
_cell_length_c   5.9
_cell_angle_alpha   106.48
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrAl2
_chemical_formula_sum   'Sr1 Zr1 Al2'
_cell_volume   93.98
_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
  Sr  Sr0  1  0.0  0.95  0.05  1.0
  Zr  Zr1  1  0.0  0.95  0.97  1.0
  Al  Al2  1  0.0  0.2  0.99  1.0
  Al  Al3  1  0.0  0.91  0.01  1.0

Sr Zr Al Al
Sr Zr Al Al 0 3 o o o 0 1 - o o 0 2 - o + 1 3 + o o 1 2 o o + 2 3 + o - 
SrZrAl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrZrAl2 cluster. Sr(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Al(2) atom. The Sr(1)-Zr(1) bond length is 0.45 Å. The Sr(1)-Al(2) bond length is 0.29 Å. Zr(1) is bonded in a distorted single-bond geometry to one Sr(1), one Al(1), and one Al(2) atom. The Zr(1)-Al(1) bond length is 1.35 Å. The Zr(1)-Al(2) bond length is 0.39 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Zr(1) atom. In the second Al site, Al(2) is bonded in a distorted L-shaped geometry to one Sr(1) and one Zr(1) atom.