data_AgW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgW2Au
_chemical_formula_sum   'Ag1 W2 Au1'
_cell_volume   66.56
_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  0.0  1.0
  W  W2  1  0.37  0.77  0.37  1.0
  W  W3  1  0.37  0.23  0.37  1.0
  Au  Au1  1  0.74  0.0  0.0  1.0

data_AgW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   116.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgW2Au
_chemical_formula_sum   'Ag1 W2 Au1'
_cell_volume   66.56
_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  0.0  1.0
  W  W1  1  0.37  0.37  0.23  1.0
  W  W2  1  0.37  0.37  0.77  1.0
  Au  Au3  1  0.0  0.74  0.0  1.0

Ag W W Au
Ag W W Au 0 3 - o o 0 2 o o o 0 2 o o - 1 2 o + o 1 3 o + o 1 3 o + + 