# generated using pymatgen
data_Ti2Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12227796
_cell_length_b   5.12284200
_cell_length_c   7.84436600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.99635734
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al3Ni
_chemical_formula_sum   'Ti4 Al6 Ni2'
_cell_volume   178.25701963
_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
  Ti  Ti0  1  0.33331300  0.33334400  0.56645100  1.0
  Ti  Ti1  1  0.66668700  0.66665600  0.43354900  1.0
  Ti  Ti2  1  0.66668700  0.66665600  0.06645100  1.0
  Ti  Ti3  1  0.33331300  0.33334400  0.93354900  1.0
  Al  Al4  1  0.83185700  0.33631000  0.75000000  1.0
  Al  Al5  1  0.33629000  0.83185500  0.75000000  1.0
  Al  Al6  1  0.83185700  0.83183200  0.75000000  1.0
  Al  Al7  1  0.16814300  0.66369000  0.25000000  1.0
  Al  Al8  1  0.66371000  0.16814500  0.25000000  1.0
  Al  Al9  1  0.16814300  0.16816700  0.25000000  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni11  1  0.00000000  0.00000000  0.00000000  1.0