# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79983723
_cell_length_b   5.29905952
_cell_length_c   51.46401187
_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   'Al36 Ni12'
_cell_volume   1308.96774983
_cell_formula_units_Z   12
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  0.517301  0.150089  0.279724  1
  Al  Al2  1  0.261224  0.629039  0.325921  1
  Al  Al3  1  0.311027  0.643035  0.248522  1
  Al  Al4  1  0.239046  0.137648  0.327106  1
  Al  Al5  1  0.761224  0.892718  0.325921  1
  Al  Al6  1  0.733450  0.377806  0.408382  1
  Al  Al7  1  0.811027  0.878722  0.248522  1
  Al  Al8  1  0.739046  0.384109  0.327106  1
  Al  Al9  1  0.233450  0.143951  0.408382  1
  Al  Al10  1  0.017301  0.371668  0.279724  1
  Al  Al11  1  0.434577  0.898479  0.368467  1
  Al  Al12  1  0.934577  0.623278  0.368467  1
  Al  Al13  1  0.569059  0.122974  0.451739  1
  Al  Al14  1  0.270781  0.642899  0.492041  1
  Al  Al15  1  0.271348  0.643319  0.411593  1
  Al  Al16  1  0.234920  0.142899  0.495034  1
  Al  Al17  1  0.770781  0.878858  0.492041  1
  Al  Al18  1  0.734353  0.378438  0.575482  1
  Al  Al19  1  0.771348  0.878438  0.411593  1
  Al  Al20  1  0.734920  0.378858  0.495034  1
  Al  Al21  1  0.234353  0.143319  0.575482  1
  Al  Al22  1  0.069059  0.398782  0.451739  1
  Al  Al23  1  0.436642  0.898782  0.535337  1
  Al  Al24  1  0.936642  0.622974  0.535337  1
  Al  Al25  1  0.571123  0.123278  0.618608  1
  Al  Al26  1  0.266654  0.637648  0.659969  1
  Al  Al27  1  0.272250  0.643951  0.578693  1
  Al  Al28  1  0.244477  0.129039  0.661154  1
  Al  Al29  1  0.766654  0.884109  0.659969  1
  Al  Al30  1  0.694674  0.378722  0.738553  1
  Al  Al31  1  0.772250  0.877806  0.578693  1
  Al  Al32  1  0.744477  0.392718  0.661154  1
  Al  Al33  1  0.194674  0.143035  0.738553  1
  Al  Al34  1  0.071123  0.398479  0.618608  1
  Al  Al35  1  0.488399  0.871668  0.707352  1
  Al  Al36  1  0.988399  0.650089  0.707352  1
  Ni  Ni37  1  0.594463  0.658416  0.287543  1
  Ni  Ni38  1  0.094463  0.863341  0.287543  1
  Ni  Ni39  1  0.419063  0.384238  0.367894  1
  Ni  Ni40  1  0.919063  0.137518  0.367894  1
  Ni  Ni41  1  0.588131  0.634844  0.451821  1
  Ni  Ni42  1  0.088131  0.886913  0.451821  1
  Ni  Ni43  1  0.417570  0.386913  0.535254  1
  Ni  Ni44  1  0.917570  0.134844  0.535254  1
  Ni  Ni45  1  0.586637  0.637518  0.619181  1
  Ni  Ni46  1  0.086637  0.884238  0.619181  1
  Ni  Ni47  1  0.411238  0.363341  0.699532  1
  Ni  Ni48  1  0.911238  0.158416  0.699532  1
