# generated using pymatgen
data_TaAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91900195
_cell_length_b   5.01238196
_cell_length_c   7.98924300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.62896794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlNi
_chemical_formula_sum   'Ta4 Al4 Ni4'
_cell_volume   169.50006220
_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
  Ta  Ta0  1  0.66641200  0.33318800  0.55072700  1.0
  Ta  Ta1  1  0.32650500  0.66327500  0.42984900  1.0
  Ta  Ta2  1  0.32650500  0.66327500  0.07015100  1.0
  Ta  Ta3  1  0.66641200  0.33318800  0.94927300  1.0
  Al  Al4  1  0.98576500  0.99292900  0.48812300  1.0
  Al  Al5  1  0.98576500  0.99292900  0.01187700  1.0
  Al  Al6  1  0.18474100  0.35009000  0.75000000  1.0
  Al  Al7  1  0.18477900  0.83467700  0.75000000  1.0
  Ni  Ni8  1  0.67568900  0.83786200  0.75000000  1.0
  Ni  Ni9  1  0.82777600  0.65442100  0.25000000  1.0
  Ni  Ni10  1  0.82777300  0.17325800  0.25000000  1.0
  Ni  Ni11  1  0.34187900  0.17090800  0.25000000  1.0