# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94660284
_cell_length_b   7.97571216
_cell_length_c   49.02523842
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2690.92334454
_cell_formula_units_Z   28
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  0.162728  0.120380  0.275083  1
  Al  Al2  1  0.662831  0.594477  0.275065  1
  Al  Al3  1  0.162728  0.620380  0.275083  1
  Al  Al4  1  0.662831  0.094477  0.275065  1
  Al  Al5  1  0.822540  0.794697  0.343127  1
  Al  Al6  1  0.322583  0.262145  0.343112  1
  Al  Al7  1  0.822540  0.294697  0.343127  1
  Al  Al8  1  0.322583  0.762145  0.343112  1
  Al  Al9  1  0.479086  0.468231  0.408886  1
  Al  Al10  1  0.979124  0.933580  0.408864  1
  Al  Al11  1  0.479086  0.968231  0.408886  1
  Al  Al12  1  0.979124  0.433580  0.408864  1
  Al  Al13  1  0.133686  0.141943  0.475638  1
  Al  Al14  1  0.633725  0.606736  0.475625  1
  Al  Al15  1  0.133686  0.641943  0.475638  1
  Al  Al16  1  0.633725  0.106736  0.475625  1
  Al  Al17  1  0.787804  0.815647  0.542316  1
  Al  Al18  1  0.287828  0.280423  0.542308  1
  Al  Al19  1  0.787804  0.315647  0.542316  1
  Al  Al20  1  0.287828  0.780423  0.542308  1
  Al  Al21  1  0.442570  0.489082  0.608918  1
  Al  Al22  1  0.942553  0.953687  0.608909  1
  Al  Al23  1  0.442570  0.989082  0.608918  1
  Al  Al24  1  0.942553  0.453687  0.608909  1
  Al  Al25  1  0.097266  0.162937  0.674671  1
  Al  Al26  1  0.597207  0.626620  0.674675  1
  Al  Al27  1  0.097266  0.662937  0.674671  1
  Al  Al28  1  0.597207  0.126620  0.674675  1
  Ni  Ni29  1  0.158645  0.594192  0.325532  1
  Ni  Ni30  1  0.994129  0.425290  0.307840  1
  Ni  Ni31  1  0.328826  0.290199  0.293834  1
  Ni  Ni32  1  0.658727  0.126049  0.325532  1
  Ni  Ni33  1  0.494083  0.959129  0.307884  1
  Ni  Ni34  1  0.828613  0.759214  0.293850  1
  Ni  Ni35  1  0.158645  0.094192  0.325532  1
  Ni  Ni36  1  0.994129  0.925290  0.307840  1
  Ni  Ni37  1  0.328826  0.790199  0.293834  1
  Ni  Ni38  1  0.658727  0.626049  0.325532  1
  Ni  Ni39  1  0.494083  0.459129  0.307884  1
  Ni  Ni40  1  0.828613  0.259214  0.293850  1
  Ni  Ni41  1  0.815361  0.263945  0.392724  1
  Ni  Ni42  1  0.651007  0.095143  0.375534  1
  Ni  Ni43  1  0.986825  0.964286  0.358505  1
  Ni  Ni44  1  0.315457  0.801162  0.392716  1
  Ni  Ni45  1  0.150915  0.634076  0.375547  1
  Ni  Ni46  1  0.486728  0.428756  0.358527  1
  Ni  Ni47  1  0.815361  0.763945  0.392724  1
  Ni  Ni48  1  0.651007  0.595143  0.375534  1
  Ni  Ni49  1  0.986825  0.464286  0.358505  1
  Ni  Ni50  1  0.315457  0.301162  0.392716  1
  Ni  Ni51  1  0.150915  0.134076  0.375547  1
  Ni  Ni52  1  0.486728  0.928756  0.358527  1
  Ni  Ni53  1  0.470491  0.936673  0.458979  1
  Ni  Ni54  1  0.306690  0.766732  0.442477  1
  Ni  Ni55  1  0.642624  0.638026  0.425622  1
  Ni  Ni56  1  0.970554  0.474796  0.458969  1
  Ni  Ni57  1  0.806664  0.308238  0.442486  1
  Ni  Ni58  1  0.142551  0.100681  0.425625  1
  Ni  Ni59  1  0.470491  0.436673  0.458979  1
  Ni  Ni60  1  0.306690  0.266732  0.442477  1
  Ni  Ni61  1  0.642624  0.138026  0.425622  1
  Ni  Ni62  1  0.970554  0.974796  0.458969  1
  Ni  Ni63  1  0.806664  0.808238  0.442486  1
  Ni  Ni64  1  0.142551  0.600681  0.425625  1
  Ni  Ni65  1  0.124557  0.610386  0.525597  1
  Ni  Ni66  1  0.960734  0.440378  0.508925  1
  Ni  Ni67  1  0.296942  0.312026  0.492323  1
  Ni  Ni68  1  0.624606  0.148525  0.525595  1
  Ni  Ni69  1  0.460726  0.982033  0.508936  1
  Ni  Ni70  1  0.796882  0.773840  0.492325  1
  Ni  Ni71  1  0.124557  0.110386  0.525597  1
  Ni  Ni72  1  0.960734  0.940378  0.508925  1
  Ni  Ni73  1  0.296942  0.812026  0.492323  1
  Ni  Ni74  1  0.624606  0.648525  0.525595  1
  Ni  Ni75  1  0.460726  0.482033  0.508936  1
  Ni  Ni76  1  0.796882  0.273840  0.492325  1
  Ni  Ni77  1  0.778993  0.284179  0.592400  1
  Ni  Ni78  1  0.614998  0.114087  0.575436  1
  Ni  Ni79  1  0.951082  0.985720  0.558872  1
  Ni  Ni80  1  0.279033  0.821756  0.592410  1
  Ni  Ni81  1  0.115006  0.655525  0.575443  1
  Ni  Ni82  1  0.451033  0.447490  0.558876  1
  Ni  Ni83  1  0.778993  0.784179  0.592400  1
  Ni  Ni84  1  0.614998  0.614087  0.575436  1
  Ni  Ni85  1  0.951082  0.485720  0.558872  1
  Ni  Ni86  1  0.279033  0.321756  0.592410  1
  Ni  Ni87  1  0.115006  0.155525  0.575443  1
  Ni  Ni88  1  0.451033  0.947490  0.558876  1
  Ni  Ni89  1  0.433979  0.956324  0.658948  1
  Ni  Ni90  1  0.270455  0.787660  0.642769  1
  Ni  Ni91  1  0.606347  0.658572  0.625176  1
  Ni  Ni92  1  0.933996  0.496044  0.658949  1
  Ni  Ni93  1  0.770417  0.327960  0.642756  1
  Ni  Ni94  1  0.106332  0.120806  0.625174  1
  Ni  Ni95  1  0.433979  0.456324  0.658948  1
  Ni  Ni96  1  0.270455  0.287660  0.642769  1
  Ni  Ni97  1  0.606347  0.158572  0.625176  1
  Ni  Ni98  1  0.933996  0.996044  0.658949  1
  Ni  Ni99  1  0.770417  0.827960  0.642756  1
  Ni  Ni100  1  0.106332  0.620806  0.625174  1
  Ni  Ni101  1  0.087470  0.629625  0.723025  1
  Ni  Ni102  1  0.920883  0.461083  0.708760  1
  Ni  Ni103  1  0.258698  0.332649  0.693436  1
  Ni  Ni104  1  0.587363  0.171178  0.723039  1
  Ni  Ni105  1  0.421203  0.005521  0.708741  1
  Ni  Ni106  1  0.758847  0.795828  0.693379  1
  Ni  Ni107  1  0.087470  0.129625  0.723025  1
  Ni  Ni108  1  0.920883  0.961083  0.708760  1
  Ni  Ni109  1  0.258698  0.832649  0.693436  1
  Ni  Ni110  1  0.587363  0.671178  0.723039  1
  Ni  Ni111  1  0.421203  0.505521  0.708741  1
  Ni  Ni112  1  0.758847  0.295828  0.693379  1
