data_TiAlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.96
_cell_angle_alpha   99.88
_cell_angle_beta   99.88
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlZn2
_chemical_formula_sum   'Ti1 Al1 Zn2'
_cell_volume   63.16
_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
  Ti  Ti1  1  0.09  0.0  0.44  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.57  0.0  0.22  1.0
  Zn  Zn3  1  0.62  0.0  0.66  1.0

data_TiAlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.76
_cell_length_c   4.96
_cell_angle_alpha   99.88
_cell_angle_beta   90.0
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlZn2
_chemical_formula_sum   'Ti1 Al1 Zn2'
_cell_volume   63.16
_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
  Ti  Ti0  1  0.0  0.91  0.56  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.38  0.34  1.0
  Zn  Zn3  1  0.0  0.43  0.78  1.0

Ti Al Zn Zn
TiZn2Al crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 1-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), and two equivalent Al(1) atoms. There is one shorter (2.56 Å) and one longer (2.67 Å) Ti(1)-Zn(1) bond length. There is one shorter (2.56 Å) and one longer (2.67 Å) Ti(1)-Zn(2) bond length. There is one shorter (2.16 Å) and one longer (2.89 Å) Ti(1)-Al(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Al(1) atoms. Both Zn(1)-Zn(1) bond lengths are 2.85 Å. There is one shorter (2.19 Å) and one longer (2.80 Å) Zn(1)-Zn(2) bond length. There is one shorter (2.48 Å) and one longer (2.73 Å) Zn(1)-Al(1) bond length. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent Ti(1), two equivalent Zn(1), and one Al(1) atom. The Zn(2)-Al(1) bond length is 2.23 Å. Al(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), one Zn(2), two equivalent Zn(1), and two equivalent Al(1) atoms. Both Al(1)-Al(1) bond lengths are 2.85 Å.