# generated using pymatgen
data_Ti4Al11Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90073638
_cell_length_b   3.90073638
_cell_length_c   16.35139122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Al11Ni
_chemical_formula_sum   'Ti4 Al11 Ni1'
_cell_volume   248.79858786
_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
  Ti  Ti0  1  0.50000000  0.50000000  0.38058500  1
  Ti  Ti1  1  0.00000000  0.00000000  0.88705200  1
  Ti  Ti2  1  0.00000000  0.00000000  0.12031300  1
  Ti  Ti3  1  0.50000000  0.50000000  0.61873600  1
  Al  Al4  1  0.50000000  0.00000000  0.00902400  1
  Al  Al5  1  0.00000000  0.50000000  0.49853300  1
  Al  Al6  1  0.00000000  0.50000000  0.00902400  1
  Al  Al7  1  0.50000000  0.00000000  0.49853300  1
  Al  Al8  1  0.00000000  0.50000000  0.23998400  1
  Al  Al9  1  0.50000000  0.00000000  0.75274100  1
  Al  Al10  1  0.50000000  0.00000000  0.23998400  1
  Al  Al11  1  0.00000000  0.50000000  0.75274100  1
  Al  Al12  1  0.00000000  0.00000000  0.62515700  1
  Al  Al13  1  0.00000000  0.00000000  0.36667200  1
  Al  Al14  1  0.50000000  0.50000000  0.87873000  1
  Ni  Ni15  1  0.50000000  0.50000000  0.12218900  1
