data_YTiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiAu2
_chemical_formula_sum   'Y1 Ti1 Au2'
_cell_volume   81.4
_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  0.44  0.0  0.56  1.0
  Ti  Ti2  1  0.0  0.0  0.6  1.0
  Au  Au0  1  0.0  0.0  0.5  1.0
  Au  Au1  1  0.44  0.0  0.82  1.0

data_YTiAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YTiAu2
_chemical_formula_sum   'Y1 Ti1 Au2'
_cell_volume   81.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.44  0.0  0.56  1.0
  Ti  Ti1  1  0.0  0.0  0.6  1.0
  Au  Au2  1  0.0  0.0  0.5  1.0
  Au  Au3  1  0.44  0.0  0.82  1.0

Y Ti Au Au