# generated using pymatgen
data_ZrSc(Al3Ni)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88488025
_cell_length_b   9.88488074
_cell_length_c   9.88488081
_cell_angle_alpha   42.52856944
_cell_angle_beta   42.52857223
_cell_angle_gamma   42.52857058
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(Al3Ni)6
_chemical_formula_sum   'Zr1 Sc1 Al18 Ni6'
_cell_volume   399.62981645
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.16705582  0.16705582  0.16705582  1.0
  Sc  Sc1  1  0.83284227  0.83284227  0.83284227  1.0
  Al  Al2  1  0.10182392  0.43583242  0.76811089  1.0
  Al  Al3  1  0.43583242  0.76811089  0.10182392  1.0
  Al  Al4  1  0.56552221  0.89715190  0.23148181  1.0
  Al  Al5  1  0.94668261  0.94668261  0.94668261  1.0
  Al  Al6  1  0.05298960  0.05298960  0.05298960  1.0
  Al  Al7  1  0.28672890  0.71512941  0.49815147  1.0
  Al  Al8  1  0.89715190  0.23148181  0.56552221  1.0
  Al  Al9  1  0.38887766  0.38887766  0.38887766  1.0
  Al  Al10  1  0.49815147  0.28672890  0.71512941  1.0
  Al  Al11  1  0.23148181  0.56552221  0.89715190  1.0
  Al  Al12  1  0.71929879  0.71929879  0.71929879  1.0
  Al  Al13  1  0.61155756  0.61155756  0.61155756  1.0
  Al  Al14  1  0.33367453  0.00074405  0.66560924  1.0
  Al  Al15  1  0.71512941  0.49815147  0.28672890  1.0
  Al  Al16  1  0.66560924  0.33367453  0.00074405  1.0
  Al  Al17  1  0.28070387  0.28070387  0.28070387  1.0
  Al  Al18  1  0.00074405  0.66560924  0.33367453  1.0
  Al  Al19  1  0.76811089  0.10182392  0.43583242  1.0
  Ni  Ni20  1  0.41823256  0.07913762  0.75926711  1.0
  Ni  Ni21  1  0.58078817  0.24104170  0.92156192  1.0
  Ni  Ni22  1  0.07913762  0.75926711  0.41823256  1.0
  Ni  Ni23  1  0.75926711  0.41823256  0.07913762  1.0
  Ni  Ni24  1  0.92156192  0.58078817  0.24104170  1.0
  Ni  Ni25  1  0.24104170  0.92156192  0.58078817  1.0