# generated using pymatgen
data_Sc(Al3Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90522310
_cell_length_b   9.90522288
_cell_length_c   9.90522227
_cell_angle_alpha   42.43830924
_cell_angle_beta   42.43830832
_cell_angle_gamma   42.43831733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(Al3Ni)3
_chemical_formula_sum   'Sc2 Al18 Ni6'
_cell_volume   400.64800687
_cell_formula_units_Z   2
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  0.16689684  0.16689684  0.16689684  1.0
  Sc  Sc1  1  0.83310316  0.83310316  0.83310316  1.0
  Al  Al2  1  0.05300435  0.05300435  0.05300435  1.0
  Al  Al3  1  0.71400724  0.50000000  0.28599276  1.0
  Al  Al4  1  0.66586603  0.33413397  0.00000000  1.0
  Al  Al5  1  0.10226045  0.43523881  0.76839557  1.0
  Al  Al6  1  0.43523881  0.76839557  0.10226045  1.0
  Al  Al7  1  0.38843419  0.38843419  0.38843419  1.0
  Al  Al8  1  0.33413397  1.00000000  0.66586603  1.0
  Al  Al9  1  0.61156581  0.61156581  0.61156581  1.0
  Al  Al10  1  0.23160443  0.56476119  0.89773955  1.0
  Al  Al11  1  0.56476119  0.89773955  0.23160443  1.0
  Al  Al12  1  0.50000000  0.28599276  0.71400724  1.0
  Al  Al13  1  0.76839557  0.10226045  0.43523881  1.0
  Al  Al14  1  0.94699565  0.94699565  0.94699565  1.0
  Al  Al15  1  0.28599276  0.71400724  0.50000000  1.0
  Al  Al16  1  0.00000000  0.66586603  0.33413397  1.0
  Al  Al17  1  0.71920514  0.71920514  0.71920514  1.0
  Al  Al18  1  0.28079486  0.28079486  0.28079486  1.0
  Al  Al19  1  0.89773955  0.23160443  0.56476119  1.0
  Ni  Ni20  1  0.24156157  0.92120067  0.58142089  1.0
  Ni  Ni21  1  0.92120067  0.58142089  0.24156157  1.0
  Ni  Ni22  1  0.75843843  0.41857911  0.07879933  1.0
  Ni  Ni23  1  0.07879933  0.75843843  0.41857911  1.0
  Ni  Ni24  1  0.41857911  0.07879933  0.75843843  1.0
  Ni  Ni25  1  0.58142089  0.24156157  0.92120067  1.0