# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01772429
_cell_length_b   6.35630684
_cell_length_c   47.61051817
_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   1153.47755286
_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  0.659702  0.438906  0.294088  1
  Al  Al2  1  0.879908  0.879130  0.314132  1
  Al  Al3  1  0.101628  0.322506  0.337351  1
  Al  Al4  1  0.325826  0.770870  0.354973  1
  Al  Al5  1  0.546166  0.211522  0.374708  1
  Al  Al6  1  0.768321  0.655771  0.394595  1
  Al  Al7  1  0.990472  0.100002  0.414742  1
  Al  Al8  1  0.213047  0.545076  0.435314  1
  Al  Al9  1  0.435199  0.989310  0.455117  1
  Al  Al10  1  0.657259  0.433364  0.475232  1
  Al  Al11  1  0.879408  0.877591  0.495289  1
  Al  Al12  1  0.101456  0.321617  0.515357  1
  Al  Al13  1  0.323636  0.765909  0.535468  1
  Al  Al14  1  0.545777  0.210120  0.555447  1
  Al  Al15  1  0.768028  0.654550  0.575631  1
  Al  Al16  1  0.990459  0.099339  0.595952  1
  Al  Al17  1  0.212421  0.543200  0.615917  1
  Al  Al18  1  0.433497  0.985297  0.635703  1
  Al  Al19  1  0.656922  0.432123  0.654650  1
  Al  Al20  1  0.879547  0.877293  0.675112  1
  Al  Al21  1  0.098224  0.314604  0.697134  1
  Al  Al22  1  0.327441  0.772964  0.715099  1
  Ni  Ni23  1  0.054349  0.228338  0.290207  1
  Ni  Ni24  1  0.261184  0.641795  0.307390  1
  Ni  Ni25  1  0.493073  0.105434  0.322903  1
  Ni  Ni26  1  0.714030  0.547284  0.343541  1
  Ni  Ni27  1  0.933089  0.985375  0.364369  1
  Ni  Ni28  1  0.159138  0.437454  0.385802  1
  Ni  Ni29  1  0.379224  0.877550  0.405073  1
  Ni  Ni30  1  0.601929  0.322882  0.424934  1
  Ni  Ni31  1  0.824106  0.767158  0.444951  1
  Ni  Ni32  1  0.045940  0.210756  0.465076  1
  Ni  Ni33  1  0.268501  0.655813  0.485359  1
  Ni  Ni34  1  0.490350  0.099440  0.505301  1
  Ni  Ni35  1  0.712637  0.543947  0.525423  1
  Ni  Ni36  1  0.934805  0.988213  0.545615  1
  Ni  Ni37  1  0.156829  0.432186  0.565638  1
  Ni  Ni38  1  0.379208  0.876867  0.585573  1
  Ni  Ni39  1  0.600644  0.319666  0.605341  1
  Ni  Ni40  1  0.823742  0.765812  0.625634  1
  Ni  Ni41  1  0.046665  0.211629  0.646805  1
  Ni  Ni42  1  0.264776  0.647785  0.667038  1
  Ni  Ni43  1  0.493917  0.106002  0.684392  1
  Ni  Ni44  1  0.711281  0.540638  0.702364  1
