# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85608843
_cell_length_b   6.41349945
_cell_length_c   52.26481385
_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   1627.7625645
_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  0.397491  0.034622  0.317327  1
  Al  Al2  1  0.877304  0.185391  0.344801  1
  Al  Al3  1  0.889746  0.186611  0.289862  1
  Al  Al4  1  0.377030  0.328332  0.360164  1
  Al  Al5  1  0.633734  0.685391  0.344801  1
  Al  Al6  1  0.134282  0.827336  0.415918  1
  Al  Al7  1  0.621292  0.686611  0.289862  1
  Al  Al8  1  0.134008  0.828332  0.360164  1
  Al  Al9  1  0.376756  0.327336  0.415918  1
  Al  Al10  1  0.113547  0.534622  0.317327  1
  Al  Al11  1  0.610192  0.981484  0.387654  1
  Al  Al12  1  0.900846  0.481484  0.387654  1
  Al  Al13  1  0.401143  0.029435  0.459683  1
  Al  Al14  1  0.876371  0.183693  0.487688  1
  Al  Al15  1  0.876426  0.183794  0.431671  1
  Al  Al16  1  0.376371  0.327392  0.503440  1
  Al  Al17  1  0.634667  0.683693  0.487688  1
  Al  Al18  1  0.134612  0.827291  0.559457  1
  Al  Al19  1  0.634612  0.683794  0.431671  1
  Al  Al20  1  0.134667  0.827392  0.503440  1
  Al  Al21  1  0.376426  0.327291  0.559457  1
  Al  Al22  1  0.109895  0.529435  0.459683  1
  Al  Al23  1  0.609895  0.981650  0.531444  1
  Al  Al24  1  0.901143  0.481650  0.531444  1
  Al  Al25  1  0.400846  0.029601  0.603474  1
  Al  Al26  1  0.877030  0.182753  0.630964  1
  Al  Al27  1  0.876756  0.183749  0.575209  1
  Al  Al28  1  0.377304  0.325694  0.646327  1
  Al  Al29  1  0.634008  0.682753  0.630964  1
  Al  Al30  1  0.121292  0.824474  0.701266  1
  Al  Al31  1  0.634282  0.683749  0.575209  1
  Al  Al32  1  0.133734  0.825694  0.646327  1
  Al  Al33  1  0.389746  0.324474  0.701266  1
  Al  Al34  1  0.110192  0.529601  0.603474  1
  Al  Al35  1  0.613547  0.976463  0.673801  1
  Al  Al36  1  0.897491  0.476463  0.673801  1
  Ni  Ni37  1  0.921412  0.888641  0.317192  1
  Ni  Ni38  1  0.589627  0.388641  0.317192  1
  Ni  Ni39  1  0.084030  0.125157  0.388044  1
  Ni  Ni40  1  0.427008  0.625157  0.388044  1
  Ni  Ni41  1  0.927700  0.886180  0.459680  1
  Ni  Ni42  1  0.583338  0.386180  0.459680  1
  Ni  Ni43  1  0.083338  0.124904  0.531448  1
  Ni  Ni44  1  0.427700  0.624904  0.531448  1
  Ni  Ni45  1  0.927008  0.885928  0.603084  1
  Ni  Ni46  1  0.584030  0.385928  0.603084  1
  Ni  Ni47  1  0.089627  0.122444  0.673936  1
  Ni  Ni48  1  0.421412  0.622444  0.673936  1
