data_Ag2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BAu
_chemical_formula_sum   'Ag2 B1 Au1'
_cell_volume   64.81
_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
  Ag  Ag0  1  0.59  0.0  0.4  1.0
  Ag  Ag1  1  0.0  0.0  0.86  1.0
  B  B3  1  0.0  0.0  0.02  1.0
  Au  Au2  1  0.59  0.0  0.45  1.0

data_Ag2BAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BAu
_chemical_formula_sum   'Ag2 B1 Au1'
_cell_volume   64.81
_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
  Ag  Ag0  1  0.0  0.0  0.86  1.0
  Ag  Ag1  1  0.59  0.0  0.4  1.0
  B  B2  1  0.0  0.0  0.02  1.0
  Au  Au3  1  0.59  0.0  0.45  1.0

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