data_YNbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbAu
_chemical_formula_sum   'Y1 Nb1 Au1'
_cell_volume   67.24
_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  0.0  1.0
  Nb  Nb1  1  0.0  0.77  0.69  1.0
  Au  Au0  1  0.4  0.38  0.69  1.0

data_YNbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbAu
_chemical_formula_sum   'Y1 Nb1 Au1'
_cell_volume   67.24
_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
  Nb  Nb1  1  0.69  0.0  0.77  1.0
  Au  Au2  1  0.69  0.4  0.38  1.0

Y Nb Au
Y Nb Au 0 1 o - - 0 2 o o - 1 2 o + o 1 2 - o o 