data_YZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.52
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   95.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnAu2
_chemical_formula_sum   'Y1 Zn1 Au2'
_cell_volume   81.63
_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  0.71  0.0  0.27  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.44  0.76  0.5  1.0
  Au  Au1  1  0.52  0.76  0.04  1.0

data_YZnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.54
_cell_length_c   6.57
_cell_angle_alpha   95.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnAu2
_chemical_formula_sum   'Y1 Zn1 Au2'
_cell_volume   81.63
_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  0.29  0.73  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.24  0.48  0.96  1.0
  Au  Au3  1  0.24  0.56  0.5  1.0

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