# generated using pymatgen
data_Sc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.09144070
_cell_length_b   12.09144070
_cell_length_c   12.09144070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni
_chemical_formula_sum   'Sc64 Ni32'
_cell_volume   1767.80415743
_cell_formula_units_Z   32
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  0.62500000  0.62500000  0.12500000  1
  Sc  Sc1  1  0.37500000  0.37500000  0.12500000  1
  Sc  Sc2  1  0.62500000  0.37500000  0.87500000  1
  Sc  Sc3  1  0.37500000  0.62500000  0.87500000  1
  Sc  Sc4  1  0.06435900  0.25000000  0.75000000  1
  Sc  Sc5  1  0.43564100  0.25000000  0.75000000  1
  Sc  Sc6  1  0.25000000  0.06435900  0.75000000  1
  Sc  Sc7  1  0.25000000  0.25000000  0.56435900  1
  Sc  Sc8  1  0.25000000  0.43564100  0.75000000  1
  Sc  Sc9  1  0.25000000  0.25000000  0.93564100  1
  Sc  Sc10  1  0.00000000  0.18564100  0.50000000  1
  Sc  Sc11  1  0.00000000  0.81435900  0.50000000  1
  Sc  Sc12  1  0.18564100  0.00000000  0.50000000  1
  Sc  Sc13  1  0.00000000  0.00000000  0.68564100  1
  Sc  Sc14  1  0.81435900  0.00000000  0.50000000  1
  Sc  Sc15  1  0.00000000  0.00000000  0.31435900  1
  Sc  Sc16  1  0.62500000  0.12500000  0.62500000  1
  Sc  Sc17  1  0.37500000  0.87500000  0.62500000  1
  Sc  Sc18  1  0.62500000  0.87500000  0.37500000  1
  Sc  Sc19  1  0.37500000  0.12500000  0.37500000  1
  Sc  Sc20  1  0.06435900  0.75000000  0.25000000  1
  Sc  Sc21  1  0.43564100  0.75000000  0.25000000  1
  Sc  Sc22  1  0.25000000  0.56435900  0.25000000  1
  Sc  Sc23  1  0.25000000  0.75000000  0.06435900  1
  Sc  Sc24  1  0.25000000  0.93564100  0.25000000  1
  Sc  Sc25  1  0.25000000  0.75000000  0.43564100  1
  Sc  Sc26  1  0.00000000  0.68564100  0.00000000  1
  Sc  Sc27  1  0.00000000  0.31435900  0.00000000  1
  Sc  Sc28  1  0.18564100  0.50000000  0.00000000  1
  Sc  Sc29  1  0.00000000  0.50000000  0.18564100  1
  Sc  Sc30  1  0.81435900  0.50000000  0.00000000  1
  Sc  Sc31  1  0.00000000  0.50000000  0.81435900  1
  Sc  Sc32  1  0.12500000  0.62500000  0.62500000  1
  Sc  Sc33  1  0.87500000  0.37500000  0.62500000  1
  Sc  Sc34  1  0.12500000  0.37500000  0.37500000  1
  Sc  Sc35  1  0.87500000  0.62500000  0.37500000  1
  Sc  Sc36  1  0.56435900  0.25000000  0.25000000  1
  Sc  Sc37  1  0.93564100  0.25000000  0.25000000  1
  Sc  Sc38  1  0.75000000  0.06435900  0.25000000  1
  Sc  Sc39  1  0.75000000  0.25000000  0.06435900  1
  Sc  Sc40  1  0.75000000  0.43564100  0.25000000  1
  Sc  Sc41  1  0.75000000  0.25000000  0.43564100  1
  Sc  Sc42  1  0.50000000  0.18564100  0.00000000  1
  Sc  Sc43  1  0.50000000  0.81435900  0.00000000  1
  Sc  Sc44  1  0.68564100  0.00000000  0.00000000  1
  Sc  Sc45  1  0.50000000  0.00000000  0.18564100  1
  Sc  Sc46  1  0.31435900  0.00000000  0.00000000  1
  Sc  Sc47  1  0.50000000  0.00000000  0.81435900  1
  Sc  Sc48  1  0.12500000  0.12500000  0.12500000  1
  Sc  Sc49  1  0.87500000  0.87500000  0.12500000  1
  Sc  Sc50  1  0.12500000  0.87500000  0.87500000  1
  Sc  Sc51  1  0.87500000  0.12500000  0.87500000  1
  Sc  Sc52  1  0.56435900  0.75000000  0.75000000  1
  Sc  Sc53  1  0.93564100  0.75000000  0.75000000  1
  Sc  Sc54  1  0.75000000  0.56435900  0.75000000  1
  Sc  Sc55  1  0.75000000  0.75000000  0.56435900  1
  Sc  Sc56  1  0.75000000  0.93564100  0.75000000  1
  Sc  Sc57  1  0.75000000  0.75000000  0.93564100  1
  Sc  Sc58  1  0.50000000  0.68564100  0.50000000  1
  Sc  Sc59  1  0.50000000  0.31435900  0.50000000  1
  Sc  Sc60  1  0.68564100  0.50000000  0.50000000  1
  Sc  Sc61  1  0.50000000  0.50000000  0.68564100  1
  Sc  Sc62  1  0.31435900  0.50000000  0.50000000  1
  Sc  Sc63  1  0.50000000  0.50000000  0.31435900  1
  Ni  Ni64  1  0.83702900  0.83702900  0.33702900  1
  Ni  Ni65  1  0.16297100  0.16297100  0.33702900  1
  Ni  Ni66  1  0.83702900  0.16297100  0.66297100  1
  Ni  Ni67  1  0.16297100  0.83702900  0.66297100  1
  Ni  Ni68  1  0.41297100  0.41297100  0.91297100  1
  Ni  Ni69  1  0.08702900  0.08702900  0.91297100  1
  Ni  Ni70  1  0.08702900  0.41297100  0.58702900  1
  Ni  Ni71  1  0.41297100  0.08702900  0.58702900  1
  Ni  Ni72  1  0.83702900  0.33702900  0.83702900  1
  Ni  Ni73  1  0.16297100  0.66297100  0.83702900  1
  Ni  Ni74  1  0.83702900  0.66297100  0.16297100  1
  Ni  Ni75  1  0.16297100  0.33702900  0.16297100  1
  Ni  Ni76  1  0.41297100  0.91297100  0.41297100  1
  Ni  Ni77  1  0.08702900  0.58702900  0.41297100  1
  Ni  Ni78  1  0.08702900  0.91297100  0.08702900  1
  Ni  Ni79  1  0.41297100  0.58702900  0.08702900  1
  Ni  Ni80  1  0.33702900  0.83702900  0.83702900  1
  Ni  Ni81  1  0.66297100  0.16297100  0.83702900  1
  Ni  Ni82  1  0.33702900  0.16297100  0.16297100  1
  Ni  Ni83  1  0.66297100  0.83702900  0.16297100  1
  Ni  Ni84  1  0.91297100  0.41297100  0.41297100  1
  Ni  Ni85  1  0.58702900  0.08702900  0.41297100  1
  Ni  Ni86  1  0.58702900  0.41297100  0.08702900  1
  Ni  Ni87  1  0.91297100  0.08702900  0.08702900  1
  Ni  Ni88  1  0.33702900  0.33702900  0.33702900  1
  Ni  Ni89  1  0.66297100  0.66297100  0.33702900  1
  Ni  Ni90  1  0.33702900  0.66297100  0.66297100  1
  Ni  Ni91  1  0.66297100  0.33702900  0.66297100  1
  Ni  Ni92  1  0.91297100  0.91297100  0.91297100  1
  Ni  Ni93  1  0.58702900  0.58702900  0.91297100  1
  Ni  Ni94  1  0.58702900  0.91297100  0.58702900  1
  Ni  Ni95  1  0.91297100  0.58702900  0.58702900  1
