# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87367930
_cell_length_b   6.27992525
_cell_length_c   49.47294388
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al42 Ni28'
_cell_volume   2135.55860273
_cell_formula_units_Z   14
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  0.002417  0.450802  0.308078  1
  Al  Al2  1  0.527805  0.806975  0.291559  1
  Al  Al3  1  0.295271  0.710224  0.337577  1
  Al  Al4  1  0.895090  0.882492  0.314157  1
  Al  Al5  1  0.239600  0.099011  0.319349  1
  Al  Al6  1  0.643987  0.229159  0.296351  1
  Al  Al7  1  0.003480  0.058966  0.373229  1
  Al  Al8  1  0.500536  0.335366  0.349939  1
  Al  Al9  1  0.330175  0.303219  0.399594  1
  Al  Al10  1  0.847987  0.516870  0.366978  1
  Al  Al11  1  0.175676  0.677314  0.387595  1
  Al  Al12  1  0.646796  0.883689  0.354441  1
  Al  Al13  1  0.001298  0.698575  0.439908  1
  Al  Al14  1  0.500502  0.903926  0.409073  1
  Al  Al15  1  0.332458  0.909883  0.461601  1
  Al  Al16  1  0.836106  0.108647  0.430112  1
  Al  Al17  1  0.167129  0.287804  0.449279  1
  Al  Al18  1  0.666850  0.486253  0.417326  1
  Al  Al19  1  1.000018  0.300082  0.502454  1
  Al  Al20  1  0.500839  0.499851  0.471345  1
  Al  Al21  1  0.332619  0.510910  0.524504  1
  Al  Al22  1  0.833260  0.709927  0.493032  1
  Al  Al23  1  0.166846  0.890366  0.511871  1
  Al  Al24  1  0.667254  0.089230  0.480412  1
  Al  Al25  1  0.998969  0.901964  0.565080  1
  Al  Al26  1  0.499183  0.100775  0.533631  1
  Al  Al27  1  0.331799  0.113094  0.587674  1
  Al  Al28  1  0.832692  0.312085  0.555630  1
  Al  Al29  1  0.163998  0.491967  0.574776  1
  Al  Al30  1  0.667177  0.690668  0.543214  1
  Al  Al31  1  0.996947  0.533482  0.630688  1
  Al  Al32  1  0.498871  0.696779  0.595782  1
  Al  Al33  1  0.348537  0.712896  0.650493  1
  Al  Al34  1  0.829725  0.921839  0.617219  1
  Al  Al35  1  0.158216  0.080378  0.639255  1
  Al  Al36  1  0.668807  0.295518  0.605365  1
  Al  Al37  1  0.006682  0.140905  0.696491  1
  Al  Al38  1  0.499578  0.273049  0.655224  1
  Al  Al39  1  0.373611  0.397611  0.706979  1
  Al  Al40  1  0.787534  0.505375  0.682850  1
  Al  Al41  1  0.117758  0.724840  0.693582  1
  Al  Al42  1  0.692188  0.894494  0.666819  1
  Ni  Ni43  1  0.358933  0.444166  0.304352  1
  Ni  Ni44  1  0.832063  0.210264  0.337771  1
  Ni  Ni45  1  0.176730  0.774343  0.289928  1
  Ni  Ni46  1  0.679161  0.576441  0.323879  1
  Ni  Ni47  1  0.338203  0.012690  0.367808  1
  Ni  Ni48  1  0.831387  0.804113  0.399315  1
  Ni  Ni49  1  0.160125  0.374187  0.354064  1
  Ni  Ni50  1  0.677663  0.185262  0.386572  1
  Ni  Ni51  1  0.336583  0.606820  0.430728  1
  Ni  Ni52  1  0.833407  0.408044  0.461580  1
  Ni  Ni53  1  0.163481  0.988407  0.417253  1
  Ni  Ni54  1  0.667528  0.788576  0.449232  1
  Ni  Ni55  1  0.333467  0.209090  0.492974  1
  Ni  Ni56  1  0.832995  0.009846  0.524286  1
  Ni  Ni57  1  0.167095  0.590342  0.480634  1
  Ni  Ni58  1  0.666608  0.391031  0.511932  1
  Ni  Ni59  1  0.332281  0.811786  0.555662  1
  Ni  Ni60  1  0.835262  0.611665  0.587365  1
  Ni  Ni61  1  0.166526  0.192242  0.543342  1
  Ni  Ni62  1  0.663425  0.993163  0.574246  1
  Ni  Ni63  1  0.322530  0.412891  0.618278  1
  Ni  Ni64  1  0.842267  0.220502  0.650202  1
  Ni  Ni65  1  0.169172  0.796373  0.605877  1
  Ni  Ni66  1  0.662562  0.590688  0.636533  1
  Ni  Ni67  1  0.338095  0.020887  0.682942  1
  Ni  Ni68  1  0.797507  0.823602  0.712965  1
  Ni  Ni69  1  0.164154  0.395072  0.667608  1
  Ni  Ni70  1  0.655040  0.174776  0.699537  1
