# generated using pymatgen
data_ScAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01131750
_cell_length_b   9.54485118
_cell_length_c   6.68600099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Ni
_chemical_formula_sum   'Sc4 Al8 Ni4'
_cell_volume   255.98978535
_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  0.43287600  0.75000000  1
  Sc  Sc1  1  0.50000000  0.06712400  0.25000000  1
  Sc  Sc2  1  0.50000000  0.93287600  0.75000000  1
  Sc  Sc3  1  0.00000000  0.56712400  0.25000000  1
  Al  Al4  1  0.00000000  0.14594200  0.94926700  1
  Al  Al5  1  0.50000000  0.35405800  0.05073300  1
  Al  Al6  1  0.50000000  0.35405800  0.44926700  1
  Al  Al7  1  0.00000000  0.14594200  0.55073300  1
  Al  Al8  1  0.50000000  0.64594200  0.94926700  1
  Al  Al9  1  0.00000000  0.85405800  0.05073300  1
  Al  Al10  1  0.00000000  0.85405800  0.44926700  1
  Al  Al11  1  0.50000000  0.64594200  0.55073300  1
  Ni  Ni12  1  0.50000000  0.21048300  0.75000000  1
  Ni  Ni13  1  0.00000000  0.28951700  0.25000000  1
  Ni  Ni14  1  0.00000000  0.71048300  0.75000000  1
  Ni  Ni15  1  0.50000000  0.78951700  0.25000000  1
