# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98926247
_cell_length_b   11.66294596
_cell_length_c   49.13892062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.86728654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al45 Ni30'
_cell_volume   2252.44461561
_cell_formula_units_Z   15
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  0.645944  0.285497  0.306418  1
  Al  Al2  1  0.011142  0.015942  0.336456  1
  Al  Al3  1  0.280544  0.554915  0.276252  1
  Al  Al4  1  0.067987  0.129625  0.285108  1
  Al  Al5  1  0.435627  0.864797  0.313518  1
  Al  Al6  1  0.796659  0.586882  0.345088  1
  Al  Al7  1  0.587138  0.167954  0.357008  1
  Al  Al8  1  0.855719  0.705153  0.296798  1
  Al  Al9  1  0.223143  0.440086  0.327577  1
  Al  Al10  1  0.737776  0.469126  0.396465  1
  Al  Al11  1  0.101369  0.196275  0.426722  1
  Al  Al12  1  0.373603  0.740799  0.364795  1
  Al  Al13  1  0.160975  0.315431  0.375530  1
  Al  Al14  1  0.524438  0.042347  0.405481  1
  Al  Al15  1  0.888861  0.771155  0.436016  1
  Al  Al16  1  0.678006  0.349626  0.447868  1
  Al  Al17  1  0.949801  0.893291  0.386578  1
  Al  Al18  1  0.314925  0.623483  0.417259  1
  Al  Al19  1  0.829190  0.651853  0.487533  1
  Al  Al20  1  0.192831  0.379102  0.517856  1
  Al  Al21  1  0.465286  0.924078  0.457048  1
  Al  Al22  1  0.252762  0.498929  0.466411  1
  Al  Al23  1  0.616144  0.225654  0.496814  1
  Al  Al24  1  0.980171  0.953683  0.527379  1
  Al  Al25  1  0.769349  0.532211  0.538955  1
  Al  Al26  1  0.041695  0.076961  0.478099  1
  Al  Al27  1  0.405893  0.805331  0.508555  1
  Al  Al28  1  0.920705  0.834787  0.578844  1
  Al  Al29  1  0.284125  0.561617  0.608638  1
  Al  Al30  1  0.556634  0.106669  0.548337  1
  Al  Al31  1  0.344203  0.681716  0.557515  1
  Al  Al32  1  0.707008  0.407288  0.587932  1
  Al  Al33  1  0.072090  0.137377  0.619019  1
  Al  Al34  1  0.860757  0.714951  0.630024  1
  Al  Al35  1  0.132895  0.259265  0.569340  1
  Al  Al36  1  0.497667  0.988761  0.600033  1
  Al  Al37  1  0.011077  0.015350  0.669255  1
  Al  Al38  1  0.376737  0.746835  0.698887  1
  Al  Al39  1  0.648404  0.290097  0.640415  1
  Al  Al40  1  0.435078  0.863388  0.648533  1
  Al  Al41  1  0.797463  0.588249  0.677775  1
  Al  Al42  1  0.170189  0.333075  0.708214  1
  Al  Al43  1  0.952962  0.899174  0.720303  1
  Al  Al44  1  0.225679  0.444826  0.659482  1
  Al  Al45  1  0.587421  0.168009  0.691927  1
  Ni  Ni46  1  0.114662  0.223004  0.328915  1
  Ni  Ni47  1  0.477822  0.949369  0.358706  1
  Ni  Ni48  1  0.747067  0.488003  0.299073  1
  Ni  Ni49  1  0.542733  0.079074  0.312829  1
  Ni  Ni50  1  0.906345  0.806215  0.341272  1
  Ni  Ni51  1  0.177952  0.349375  0.284541  1
  Ni  Ni52  1  0.205956  0.405544  0.420121  1
  Ni  Ni53  1  0.569427  0.132447  0.450241  1
  Ni  Ni54  1  0.842219  0.678079  0.389321  1
  Ni  Ni55  1  0.633403  0.260277  0.403249  1
  Ni  Ni56  1  0.997057  0.987566  0.433261  1
  Ni  Ni57  1  0.269865  0.533256  0.373034  1
  Ni  Ni58  1  0.297200  0.587931  0.511156  1
  Ni  Ni59  1  0.660817  0.315131  0.541473  1
  Ni  Ni60  1  0.933415  0.860392  0.480774  1
  Ni  Ni61  1  0.724835  0.443055  0.494234  1
  Ni  Ni62  1  0.088533  0.170413  0.524591  1
  Ni  Ni63  1  0.361124  0.715665  0.463864  1
  Ni  Ni64  1  0.388576  0.770598  0.602293  1
  Ni  Ni65  1  0.752134  0.497716  0.632013  1
  Ni  Ni66  1  0.024932  0.043314  0.572219  1
  Ni  Ni67  1  0.816156  0.625615  0.585255  1
  Ni  Ni68  1  0.179504  0.352257  0.615714  1
  Ni  Ni69  1  0.452593  0.898507  0.555259  1
  Ni  Ni70  1  0.479915  0.953093  0.692778  1
  Ni  Ni71  1  0.841689  0.676875  0.720287  1
  Ni  Ni72  1  0.116206  0.225692  0.664266  1
  Ni  Ni73  1  0.906793  0.806858  0.676438  1
  Ni  Ni74  1  0.276030  0.545501  0.706125  1
  Ni  Ni75  1  0.544359  0.081857  0.646957  1
