# generated using pymatgen
data_ScAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99251549
_cell_length_b   5.14507455
_cell_length_c   6.66535673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.82974621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Ni
_chemical_formula_sum   'Sc2 Al4 Ni2'
_cell_volume   126.19242520
_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  0.43367282  0.86734464  0.75000000  1.0
  Sc  Sc1  1  0.56632718  0.13265536  0.25000000  1.0
  Al  Al2  1  0.14834634  0.29668968  0.94848066  1.0
  Al  Al3  1  0.85165366  0.70331032  0.05151934  1.0
  Al  Al4  1  0.85165366  0.70331032  0.44848066  1.0
  Al  Al5  1  0.14834634  0.29668968  0.55151934  1.0
  Ni  Ni6  1  0.71019144  0.42038089  0.75000000  1.0
  Ni  Ni7  1  0.28980856  0.57961911  0.25000000  1.0