# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04202150
_cell_length_b   6.36877105
_cell_length_c   47.66864436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al22 Ni22'
_cell_volume   1164.1483093
_cell_formula_units_Z   22
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  Al1  1  0.044360  0.208287  0.285752  1
  Al  Al2  1  0.273397  0.667042  0.303328  1
  Al  Al3  1  0.489970  0.100380  0.324703  1
  Al  Al4  1  0.712501  0.545820  0.345861  1
  Al  Al5  1  0.935567  0.992298  0.365180  1
  Al  Al6  1  0.156879  0.435282  0.384762  1
  Al  Al7  1  0.378618  0.879134  0.404958  1
  Al  Al8  1  0.600385  0.323045  0.425112  1
  Al  Al9  1  0.822449  0.767541  0.445294  1
  Al  Al10  1  0.044305  0.211627  0.465246  1
  Al  Al11  1  0.266062  0.655513  0.485259  1
  Al  Al12  1  0.487934  0.099630  0.505349  1
  Al  Al13  1  0.709836  0.543807  0.525479  1
  Al  Al14  1  0.931560  0.987629  0.545494  1
  Al  Al15  1  0.153398  0.431681  0.565454  1
  Al  Al16  1  0.375437  0.876123  0.585596  1
  Al  Al17  1  0.597318  0.320262  0.605667  1
  Al  Al18  1  0.819371  0.764743  0.626170  1
  Al  Al19  1  0.039889  0.206114  0.645571  1
  Al  Al20  1  0.263472  0.653668  0.664340  1
  Al  Al21  1  0.486564  0.100039  0.686152  1
  Al  Al22  1  0.702850  0.533286  0.706231  1
  Ni  Ni23  1  0.660105  0.440089  0.297284  1
  Ni  Ni24  1  0.877707  0.875770  0.316375  1
  Ni  Ni25  1  0.103702  0.327957  0.334828  1
  Ni  Ni26  1  0.323944  0.768855  0.354609  1
  Ni  Ni27  1  0.545127  0.211618  0.374917  1
  Ni  Ni28  1  0.767908  0.657530  0.395376  1
  Ni  Ni29  1  0.989734  0.101550  0.415135  1
  Ni  Ni30  1  0.211456  0.545364  0.435030  1
  Ni  Ni31  1  0.433348  0.989527  0.455194  1
  Ni  Ni32  1  0.655112  0.433431  0.475310  1
  Ni  Ni33  1  0.876997  0.877570  0.495373  1
  Ni  Ni34  1  0.098873  0.321695  0.515371  1
  Ni  Ni35  1  0.320769  0.765856  0.535409  1
  Ni  Ni36  1  0.542492  0.209680  0.555485  1
  Ni  Ni37  1  0.764558  0.654188  0.575750  1
  Ni  Ni38  1  0.985970  0.097390  0.595636  1
  Ni  Ni39  1  0.207859  0.541539  0.615336  1
  Ni  Ni40  1  0.431297  0.988733  0.635642  1
  Ni  Ni41  1  0.651670  0.429905  0.655664  1
  Ni  Ni42  1  0.873276  0.873517  0.676631  1
  Ni  Ni43  1  0.097427  0.322124  0.694040  1
  Ni  Ni44  1  0.314925  0.758047  0.712531  1
