# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83185143
_cell_length_b   7.83185143
_cell_length_c   47.99005845
_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   2549.2403936
_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  0.625204  0.625409  0.275436  1
  Al  Al2  1  0.125204  0.125409  0.275436  1
  Al  Al3  1  0.625204  0.125409  0.275436  1
  Al  Al4  1  0.125204  0.625409  0.275436  1
  Al  Al5  1  0.291871  0.292076  0.342237  1
  Al  Al6  1  0.791871  0.792076  0.342237  1
  Al  Al7  1  0.291871  0.792076  0.342237  1
  Al  Al8  1  0.791871  0.292076  0.342237  1
  Al  Al9  1  0.958538  0.958742  0.408225  1
  Al  Al10  1  0.458538  0.458742  0.408225  1
  Al  Al11  1  0.958538  0.458742  0.408225  1
  Al  Al12  1  0.458538  0.958742  0.408225  1
  Al  Al13  1  0.625204  0.625409  0.475106  1
  Al  Al14  1  0.125204  0.125409  0.475106  1
  Al  Al15  1  0.625204  0.125409  0.475106  1
  Al  Al16  1  0.125204  0.625409  0.475106  1
  Al  Al17  1  0.291871  0.292076  0.541849  1
  Al  Al18  1  0.791871  0.792076  0.541849  1
  Al  Al19  1  0.291871  0.792076  0.541849  1
  Al  Al20  1  0.791871  0.292076  0.541849  1
  Al  Al21  1  0.958538  0.958742  0.608445  1
  Al  Al22  1  0.458538  0.458742  0.608445  1
  Al  Al23  1  0.958538  0.458742  0.608445  1
  Al  Al24  1  0.458538  0.958742  0.608445  1
  Al  Al25  1  0.625204  0.625409  0.674685  1
  Al  Al26  1  0.125204  0.125409  0.674685  1
  Al  Al27  1  0.625204  0.125409  0.674685  1
  Al  Al28  1  0.125204  0.625409  0.674685  1
  Ni  Ni29  1  0.125204  0.125409  0.325266  1
  Ni  Ni30  1  0.458538  0.958742  0.307000  1
  Ni  Ni31  1  0.291871  0.292076  0.292475  1
  Ni  Ni32  1  0.625204  0.625409  0.325266  1
  Ni  Ni33  1  0.958538  0.458742  0.307000  1
  Ni  Ni34  1  0.791871  0.792076  0.292475  1
  Ni  Ni35  1  0.125204  0.625409  0.325266  1
  Ni  Ni36  1  0.458538  0.458742  0.307000  1
  Ni  Ni37  1  0.291871  0.792076  0.292475  1
  Ni  Ni38  1  0.625204  0.125409  0.325266  1
  Ni  Ni39  1  0.958538  0.958742  0.307000  1
  Ni  Ni40  1  0.791871  0.292076  0.292475  1
  Ni  Ni41  1  0.791871  0.792076  0.391938  1
  Ni  Ni42  1  0.125204  0.625409  0.375034  1
  Ni  Ni43  1  0.958538  0.958742  0.357923  1
  Ni  Ni44  1  0.291871  0.292076  0.391938  1
  Ni  Ni45  1  0.625204  0.125409  0.375034  1
  Ni  Ni46  1  0.458538  0.458742  0.357923  1
  Ni  Ni47  1  0.791871  0.292076  0.391938  1
  Ni  Ni48  1  0.125204  0.125409  0.375034  1
  Ni  Ni49  1  0.958538  0.458742  0.357923  1
  Ni  Ni50  1  0.291871  0.792076  0.391938  1
  Ni  Ni51  1  0.625204  0.625409  0.375034  1
  Ni  Ni52  1  0.458538  0.958742  0.357923  1
  Ni  Ni53  1  0.458538  0.458742  0.458384  1
  Ni  Ni54  1  0.791871  0.292076  0.441833  1
  Ni  Ni55  1  0.625204  0.625409  0.425058  1
  Ni  Ni56  1  0.958538  0.958742  0.458384  1
  Ni  Ni57  1  0.291871  0.792076  0.441833  1
  Ni  Ni58  1  0.125204  0.125409  0.425058  1
  Ni  Ni59  1  0.458538  0.958742  0.458384  1
  Ni  Ni60  1  0.791871  0.792076  0.441833  1
  Ni  Ni61  1  0.625204  0.125409  0.425058  1
  Ni  Ni62  1  0.958538  0.458742  0.458384  1
  Ni  Ni63  1  0.291871  0.292076  0.441833  1
  Ni  Ni64  1  0.125204  0.625409  0.425058  1
  Ni  Ni65  1  0.125204  0.125409  0.525137  1
  Ni  Ni66  1  0.458538  0.958742  0.508437  1
  Ni  Ni67  1  0.291871  0.292076  0.491810  1
  Ni  Ni68  1  0.625204  0.625409  0.525137  1
  Ni  Ni69  1  0.958538  0.458742  0.508437  1
  Ni  Ni70  1  0.791871  0.792076  0.491810  1
  Ni  Ni71  1  0.125204  0.625409  0.525137  1
  Ni  Ni72  1  0.458538  0.458742  0.508437  1
  Ni  Ni73  1  0.291871  0.792076  0.491810  1
  Ni  Ni74  1  0.625204  0.125409  0.525137  1
  Ni  Ni75  1  0.958538  0.958742  0.508437  1
  Ni  Ni76  1  0.791871  0.292076  0.491810  1
  Ni  Ni77  1  0.791871  0.792076  0.591931  1
  Ni  Ni78  1  0.125204  0.625409  0.575160  1
  Ni  Ni79  1  0.958538  0.958742  0.558452  1
  Ni  Ni80  1  0.291871  0.292076  0.591931  1
  Ni  Ni81  1  0.625204  0.125409  0.575160  1
  Ni  Ni82  1  0.458538  0.458742  0.558452  1
  Ni  Ni83  1  0.791871  0.292076  0.591931  1
  Ni  Ni84  1  0.125204  0.125409  0.575160  1
  Ni  Ni85  1  0.958538  0.458742  0.558452  1
  Ni  Ni86  1  0.291871  0.792076  0.591931  1
  Ni  Ni87  1  0.625204  0.625409  0.575160  1
  Ni  Ni88  1  0.458538  0.958742  0.558452  1
  Ni  Ni89  1  0.458538  0.458742  0.658205  1
  Ni  Ni90  1  0.791871  0.292076  0.642203  1
  Ni  Ni91  1  0.625204  0.625409  0.625103  1
  Ni  Ni92  1  0.958538  0.958742  0.658205  1
  Ni  Ni93  1  0.291871  0.792076  0.642203  1
  Ni  Ni94  1  0.125204  0.125409  0.625103  1
  Ni  Ni95  1  0.458538  0.958742  0.658205  1
  Ni  Ni96  1  0.791871  0.792076  0.642203  1
  Ni  Ni97  1  0.625204  0.125409  0.625103  1
  Ni  Ni98  1  0.958538  0.458742  0.658205  1
  Ni  Ni99  1  0.291871  0.292076  0.642203  1
  Ni  Ni100  1  0.125204  0.625409  0.625103  1
  Ni  Ni101  1  0.125204  0.125409  0.724613  1
  Ni  Ni102  1  0.458538  0.958742  0.707840  1
  Ni  Ni103  1  0.291871  0.292076  0.692922  1
  Ni  Ni104  1  0.625204  0.625409  0.724613  1
  Ni  Ni105  1  0.958538  0.458742  0.707840  1
  Ni  Ni106  1  0.791871  0.792076  0.692922  1
  Ni  Ni107  1  0.125204  0.625409  0.724613  1
  Ni  Ni108  1  0.458538  0.458742  0.707840  1
  Ni  Ni109  1  0.291871  0.792076  0.692922  1
  Ni  Ni110  1  0.625204  0.125409  0.724613  1
  Ni  Ni111  1  0.958538  0.958742  0.707840  1
  Ni  Ni112  1  0.791871  0.292076  0.692922  1
