data_AlTlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlNi2
_chemical_formula_sum   'Al1 Tl1 Ni2'
_cell_volume   58.0
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.16  0.16  0.0  1.0
  Ni  Ni1  1  0.0  0.16  0.56  1.0
  Ni  Ni2  1  0.16  0.0  0.56  1.0

data_AlTlNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTlNi2
_chemical_formula_sum   'Al2 Tl2 Ni4'
_cell_volume   115.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.16  0.0  0.0  1.0
  Ni  Ni2  4  0.08  0.08  0.56  1.0

Al Tl Ni Ni
Al Tl Ni Ni 0 1 o o o 2 3 o o o 
(Ni)2TlAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two aluminum;thallium molecules and two Ni clusters. In each Ni cluster, Ni(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Ni(1)-Ni(1) bond length is 0.95 Å.