data_YTi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   145.82
_cell_angle_beta   133.16
_cell_angle_gamma   59.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Au
_chemical_formula_sum   'Y1 Ti2 Au1'
_cell_volume   83.33
_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  0.0  0.0  1.0
  Ti  Ti1  1  0.73  0.0  0.75  1.0
  Ti  Ti2  1  0.0  0.34  0.38  1.0
  Au  Au0  1  0.0  0.0  0.13  1.0

data_YTi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.69
_cell_length_c   5.9
_cell_angle_alpha   113.42
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Au
_chemical_formula_sum   'Y1 Ti2 Au1'
_cell_volume   83.33
_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  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.75  0.02  1.0
  Ti  Ti2  1  0.66  0.03  0.03  1.0
  Au  Au3  1  0.0  0.13  0.13  1.0

Y Ti Ti Au