data_Y2AgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   28.89
_cell_angle_beta   28.89
_cell_angle_gamma   28.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AgAu
_chemical_formula_sum   'Y2 Ag1 Au1'
_cell_volume   106.72
_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  0.0  0.0  0.69  1.0
  Y  Y3  1  0.0  0.0  0.36  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.53  1.0

data_Y2AgAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   4.0
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2AgAu
_chemical_formula_sum   'Y4 Ag2 Au2'
_cell_volume   213.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.31  1.0
  Y  Y1  2  0.0  0.0  0.64  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  -0.0  0.0  0.47  1.0

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