# generated using pymatgen
data_Th(TiAu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68562519
_cell_length_b   5.68562411
_cell_length_c   5.68562395
_cell_angle_alpha   102.31354138
_cell_angle_beta   102.31355008
_cell_angle_gamma   124.99307743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(TiAu2)2
_chemical_formula_sum   'Th1 Ti2 Au4'
_cell_volume   133.55217594
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.25000000  0.75000000  0.50000000  1.0
  Ti  Ti2  1  0.75000000  0.25000000  0.50000000  1.0
  Au  Au3  1  0.30332698  0.30332698  0.60665296  1.0
  Au  Au4  1  0.69667302  0.69667302  0.39334704  1.0
  Au  Au5  1  0.69667302  0.30332698  0.00000000  1.0
  Au  Au6  1  0.30332698  0.69667302  0.00000000  1.0