data_YSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.96
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Au
_chemical_formula_sum   'Y1 Sn2 Au1'
_cell_volume   97.78
_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
  Sn  Sn1  1  0.82  0.98  0.85  1.0
  Sn  Sn2  1  0.82  0.98  0.92  1.0
  Au  Au0  1  0.0  0.0  0.39  1.0

data_YSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.96
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Au
_chemical_formula_sum   'Y1 Sn2 Au1'
_cell_volume   97.78
_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
  Sn  Sn1  1  0.82  0.98  0.85  1.0
  Sn  Sn2  1  0.82  0.98  0.92  1.0
  Au  Au3  1  0.0  0.0  0.39  1.0

Y Sn Sn Au
Y Sn Sn Au 0 2 - - - 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + + 