# generated using pymatgen
data_Sc3Al5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68369141
_cell_length_b   6.68369125
_cell_length_c   4.08624565
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al5Ni
_chemical_formula_sum   'Sc3 Al5 Ni1'
_cell_volume   158.08396706
_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
  Sc  Sc0  1  0.59287838  1.00000000  0.50000000  1.0
  Sc  Sc1  1  0.40712162  0.40712162  0.50000000  1.0
  Sc  Sc2  1  1.00000000  0.59287838  0.50000000  1.0
  Al  Al3  1  0.23207664  1.00000000  0.00000000  1.0
  Al  Al4  1  1.00000000  0.23207664  0.00000000  1.0
  Al  Al5  1  0.66666700  0.33333300  0.00000000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.00000000  1.0
  Al  Al7  1  0.76792336  0.76792336  0.00000000  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.50000000  1.0