data_Ag5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag5Au
_chemical_formula_sum   'Ag5 Au1'
_cell_volume   107.54
_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  0.84  0.46  0.41  1.0
  Ag  Ag1  1  0.31  0.93  0.41  1.0
  Ag  Ag2  1  0.39  0.0  0.41  1.0
  Ag  Ag3  1  0.54  0.46  0.0  1.0
  Ag  Ag4  1  0.0  0.93  0.0  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0

data_Ag5Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag5Au
_chemical_formula_sum   'Ag5 Au1'
_cell_volume   107.54
_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  0.93  1.0
  Ag  Ag1  1  0.0  0.54  0.46  1.0
  Ag  Ag2  1  0.41  0.31  0.93  1.0
  Ag  Ag3  1  0.41  0.39  0.0  1.0
  Ag  Ag4  1  0.41  0.84  0.46  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0

Ag Ag Ag Ag Ag Au
Ag Ag Ag Ag Ag Au 0 2 o o o 0 2 + + o 0 1 o - o 0 1 + o o 0 4 + o o 0 3 o o o 1 2 o + o 2 3 o o o 3 5 o o o 3 5 + + o 3 4 o - o 3 4 + o o 4 5 o + o 