[CIF]
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89000000
_cell_length_b   3.89000000
_cell_length_c   7.78000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al6 Ni2'
_cell_volume   117.72773800
_cell_formula_units_Z   2
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  2.91750000  0.00000000  6.80750000  1
  Al  Al1  1  0.97250000  0.00000000  0.97250000  1
  Al  Al2  1  2.91750000  0.00000000  2.91750000  1
  Al  Al3  1  0.97250000  0.00000000  4.86250000  1
  Al  Al4  1  0.97250000  1.94500000  6.80750000  1
  Al  Al5  1  2.91750000  1.94500000  0.97250000  1
  Ni  Ni6  1  0.97250000  1.94500000  2.91750000  1
  Ni  Ni7  1  2.91750000  1.94500000  4.86250000  1
[/CIF]
