# generated using pymatgen
data_TiAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91349625
_cell_length_b   4.91369059
_cell_length_c   7.95633100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.52037399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlNi
_chemical_formula_sum   'Ti4 Al4 Ni4'
_cell_volume   168.84709619
_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
  Ti  Ti0  1  0.33328700  0.33324600  0.54379100  1.0
  Ti  Ti1  1  0.66408500  0.66405500  0.42322200  1.0
  Ti  Ti2  1  0.66408500  0.66405500  0.07677800  1.0
  Ti  Ti3  1  0.33328700  0.33324600  0.95620900  1.0
  Al  Al4  1  0.99116000  0.99109900  0.48873100  1.0
  Al  Al5  1  0.99116000  0.99109900  0.01126900  1.0
  Al  Al6  1  0.83738700  0.34958100  0.75000000  1.0
  Al  Al7  1  0.34965500  0.83727400  0.75000000  1.0
  Ni  Ni8  1  0.83737400  0.83742700  0.75000000  1.0
  Ni  Ni9  1  0.17446200  0.65405600  0.25000000  1.0
  Ni  Ni10  1  0.65397400  0.17463000  0.25000000  1.0
  Ni  Ni11  1  0.17008400  0.17023300  0.25000000  1.0