data_YTiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   143.5
_cell_angle_beta   132.23
_cell_angle_gamma   61.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiAu2
_chemical_formula_sum   'Y1 Ti1 Au2'
_cell_volume   82.33
_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
  Y  Y3  1  0.0  0.32  0.44  1.0
  Ti  Ti2  1  0.0  0.0  0.74  1.0
  Au  Au0  1  0.0  0.0  0.14  1.0
  Au  Au1  1  0.8  0.0  0.55  1.0

data_YTiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.65
_cell_length_c   5.74
_cell_angle_alpha   113.88
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiAu2
_chemical_formula_sum   'Y1 Ti1 Au2'
_cell_volume   82.33
_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
  Y  Y0  1  0.56  0.88  0.88  1.0
  Ti  Ti1  1  0.26  0.26  0.26  1.0
  Au  Au2  1  0.25  0.45  0.25  1.0
  Au  Au3  1  0.86  0.86  0.86  1.0

Y Ti Au Au