# generated using pymatgen
data_Sc6Al16Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.07302240
_cell_length_b   12.07302240
_cell_length_c   12.07302240
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Al16Ni7
_chemical_formula_sum   'Sc24 Al64 Ni28'
_cell_volume   1759.73802793
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.00000000  0.00000000  0.69585900  1
  Sc  Sc1  1  0.00000000  0.80414100  0.50000000  1
  Sc  Sc2  1  0.30414100  0.00000000  0.00000000  1
  Sc  Sc3  1  0.00000000  0.00000000  0.30414100  1
  Sc  Sc4  1  0.00000000  0.19585900  0.50000000  1
  Sc  Sc5  1  0.19585900  0.00000000  0.50000000  1
  Sc  Sc6  1  0.00000000  0.50000000  0.19585900  1
  Sc  Sc7  1  0.00000000  0.30414100  0.00000000  1
  Sc  Sc8  1  0.30414100  0.50000000  0.50000000  1
  Sc  Sc9  1  0.00000000  0.50000000  0.80414100  1
  Sc  Sc10  1  0.00000000  0.69585900  0.00000000  1
  Sc  Sc11  1  0.19585900  0.50000000  0.00000000  1
  Sc  Sc12  1  0.50000000  0.00000000  0.19585900  1
  Sc  Sc13  1  0.50000000  0.80414100  0.00000000  1
  Sc  Sc14  1  0.80414100  0.00000000  0.50000000  1
  Sc  Sc15  1  0.50000000  0.00000000  0.80414100  1
  Sc  Sc16  1  0.50000000  0.19585900  0.00000000  1
  Sc  Sc17  1  0.69585900  0.00000000  0.00000000  1
  Sc  Sc18  1  0.50000000  0.50000000  0.69585900  1
  Sc  Sc19  1  0.50000000  0.30414100  0.50000000  1
  Sc  Sc20  1  0.80414100  0.50000000  0.00000000  1
  Sc  Sc21  1  0.50000000  0.50000000  0.30414100  1
  Sc  Sc22  1  0.50000000  0.69585900  0.50000000  1
  Sc  Sc23  1  0.69585900  0.50000000  0.50000000  1
  Al  Al24  1  0.11940500  0.11940500  0.88059500  1
  Al  Al25  1  0.11940500  0.38059500  0.61940500  1
  Al  Al26  1  0.38059500  0.11940500  0.61940500  1
  Al  Al27  1  0.38059500  0.38059500  0.88059500  1
  Al  Al28  1  0.38059500  0.88059500  0.61940500  1
  Al  Al29  1  0.38059500  0.61940500  0.88059500  1
  Al  Al30  1  0.11940500  0.88059500  0.88059500  1
  Al  Al31  1  0.11940500  0.61940500  0.61940500  1
  Al  Al32  1  0.33363900  0.83363900  0.16636100  1
  Al  Al33  1  0.33363900  0.16636100  0.83363900  1
  Al  Al34  1  0.16636100  0.83363900  0.33363900  1
  Al  Al35  1  0.16636100  0.16636100  0.66636100  1
  Al  Al36  1  0.16636100  0.16636100  0.33363900  1
  Al  Al37  1  0.16636100  0.83363900  0.66636100  1
  Al  Al38  1  0.33363900  0.16636100  0.16636100  1
  Al  Al39  1  0.33363900  0.83363900  0.83363900  1
  Al  Al40  1  0.11940500  0.61940500  0.38059500  1
  Al  Al41  1  0.11940500  0.88059500  0.11940500  1
  Al  Al42  1  0.38059500  0.61940500  0.11940500  1
  Al  Al43  1  0.38059500  0.88059500  0.38059500  1
  Al  Al44  1  0.38059500  0.38059500  0.11940500  1
  Al  Al45  1  0.38059500  0.11940500  0.38059500  1
  Al  Al46  1  0.11940500  0.38059500  0.38059500  1
  Al  Al47  1  0.11940500  0.11940500  0.11940500  1
  Al  Al48  1  0.33363900  0.33363900  0.66636100  1
  Al  Al49  1  0.33363900  0.66636100  0.33363900  1
  Al  Al50  1  0.16636100  0.33363900  0.83363900  1
  Al  Al51  1  0.16636100  0.66636100  0.16636100  1
  Al  Al52  1  0.16636100  0.66636100  0.83363900  1
  Al  Al53  1  0.16636100  0.33363900  0.16636100  1
  Al  Al54  1  0.33363900  0.66636100  0.66636100  1
  Al  Al55  1  0.33363900  0.33363900  0.33363900  1
  Al  Al56  1  0.61940500  0.11940500  0.38059500  1
  Al  Al57  1  0.61940500  0.38059500  0.11940500  1
  Al  Al58  1  0.88059500  0.11940500  0.11940500  1
  Al  Al59  1  0.88059500  0.38059500  0.38059500  1
  Al  Al60  1  0.88059500  0.88059500  0.11940500  1
  Al  Al61  1  0.88059500  0.61940500  0.38059500  1
  Al  Al62  1  0.61940500  0.88059500  0.38059500  1
  Al  Al63  1  0.61940500  0.61940500  0.11940500  1
  Al  Al64  1  0.83363900  0.83363900  0.66636100  1
  Al  Al65  1  0.83363900  0.16636100  0.33363900  1
  Al  Al66  1  0.66636100  0.83363900  0.83363900  1
  Al  Al67  1  0.66636100  0.16636100  0.16636100  1
  Al  Al68  1  0.66636100  0.16636100  0.83363900  1
  Al  Al69  1  0.66636100  0.83363900  0.16636100  1
  Al  Al70  1  0.83363900  0.16636100  0.66636100  1
  Al  Al71  1  0.83363900  0.83363900  0.33363900  1
  Al  Al72  1  0.61940500  0.61940500  0.88059500  1
  Al  Al73  1  0.61940500  0.88059500  0.61940500  1
  Al  Al74  1  0.88059500  0.61940500  0.61940500  1
  Al  Al75  1  0.88059500  0.88059500  0.88059500  1
  Al  Al76  1  0.88059500  0.38059500  0.61940500  1
  Al  Al77  1  0.88059500  0.11940500  0.88059500  1
  Al  Al78  1  0.61940500  0.38059500  0.88059500  1
  Al  Al79  1  0.61940500  0.11940500  0.61940500  1
  Al  Al80  1  0.83363900  0.33363900  0.16636100  1
  Al  Al81  1  0.83363900  0.66636100  0.83363900  1
  Al  Al82  1  0.66636100  0.33363900  0.33363900  1
  Al  Al83  1  0.66636100  0.66636100  0.66636100  1
  Al  Al84  1  0.66636100  0.66636100  0.33363900  1
  Al  Al85  1  0.66636100  0.33363900  0.66636100  1
  Al  Al86  1  0.83363900  0.66636100  0.16636100  1
  Al  Al87  1  0.83363900  0.33363900  0.83363900  1
  Ni  Ni88  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni89  1  0.25000000  0.25000000  0.00000000  1
  Ni  Ni90  1  0.25000000  0.00000000  0.75000000  1
  Ni  Ni91  1  0.00000000  0.25000000  0.75000000  1
  Ni  Ni92  1  0.25000000  0.75000000  0.00000000  1
  Ni  Ni93  1  0.25000000  0.00000000  0.25000000  1
  Ni  Ni94  1  0.00000000  0.75000000  0.75000000  1
  Ni  Ni95  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni96  1  0.25000000  0.75000000  0.50000000  1
  Ni  Ni97  1  0.25000000  0.50000000  0.25000000  1
  Ni  Ni98  1  0.00000000  0.75000000  0.25000000  1
  Ni  Ni99  1  0.25000000  0.25000000  0.50000000  1
  Ni  Ni100  1  0.25000000  0.50000000  0.75000000  1
  Ni  Ni101  1  0.00000000  0.25000000  0.25000000  1
  Ni  Ni102  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni103  1  0.75000000  0.25000000  0.50000000  1
  Ni  Ni104  1  0.75000000  0.00000000  0.25000000  1
  Ni  Ni105  1  0.50000000  0.25000000  0.25000000  1
  Ni  Ni106  1  0.75000000  0.75000000  0.50000000  1
  Ni  Ni107  1  0.75000000  0.00000000  0.75000000  1
  Ni  Ni108  1  0.50000000  0.75000000  0.25000000  1
  Ni  Ni109  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni110  1  0.75000000  0.75000000  0.00000000  1
  Ni  Ni111  1  0.75000000  0.50000000  0.75000000  1
  Ni  Ni112  1  0.50000000  0.75000000  0.75000000  1
  Ni  Ni113  1  0.75000000  0.25000000  0.00000000  1
  Ni  Ni114  1  0.75000000  0.50000000  0.25000000  1
  Ni  Ni115  1  0.50000000  0.25000000  0.75000000  1
