data_Y2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnAu
_chemical_formula_sum   'Y2 Sn1 Au1'
_cell_volume   97.68
_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  Y2  1  0.68  0.87  0.87  1.0
  Y  Y3  1  0.91  0.87  0.08  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.42  0.0  0.47  1.0

data_Y2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   7.04
_cell_angle_alpha   99.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnAu
_chemical_formula_sum   'Y2 Sn1 Au1'
_cell_volume   97.68
_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  0.13  0.09  0.92  1.0
  Y  Y1  1  0.13  0.32  0.13  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.58  0.53  1.0

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