data_Al2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoNi
_chemical_formula_sum   'Al2 Co1 Ni1'
_cell_volume   49.76
_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  0.13  1.0
  Al  Al1  1  0.53  0.53  0.5  1.0
  Co  Co2  1  0.0  0.0  0.54  1.0
  Ni  Ni3  1  0.53  0.53  0.07  1.0

data_Al2CoNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CoNi
_chemical_formula_sum   'Al4 Co2 Ni2'
_cell_volume   99.53
_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  0.13  1.0
  Al  Al1  2  0.03  0.5  0.5  1.0
  Co  Co2  2  0.0  0.0  0.54  1.0
  Ni  Ni3  2  0.03  0.5  0.07  1.0

Al Al Co Ni
CoNiAl2 crystallizes in the monoclinic Cm space group. Co(1) is bonded to one Al(1) and four equivalent Al(2) atoms to form a mixture of distorted edge and corner-sharing CoAl5 square pyramids. The Co(1)-Al(1) bond length is 2.16 Å. There are a spread of Co(1)-Al(2) bond distances ranging from 2.03-2.32 Å. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Al(2) and four equivalent Al(1) atoms. There is one shorter (2.29 Å) and one longer (3.00 Å) Ni(1)-Al(2) bond length. There are a spread of Ni(1)-Al(1) bond distances ranging from 2.05-2.33 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Co(1) and four equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to four equivalent Co(1) and two equivalent Ni(1) atoms.