# generated using pymatgen
data_TiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32226218
_cell_length_b   3.32226218
_cell_length_c   6.10292196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAu
_chemical_formula_sum   'Ti2 Au2'
_cell_volume   67.36054947
_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  0.75000000  0.75000000  0.86449885  1.0
  Ti  Ti1  1  0.25000000  0.25000000  0.13550115  1.0
  Au  Au2  1  0.75000000  0.75000000  0.36034485  1.0
  Au  Au3  1  0.25000000  0.25000000  0.63965515  1.0