data_Re2AgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgAu
_chemical_formula_sum   'Re2 Ag1 Au1'
_cell_volume   64.66
_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
  Re  Re2  1  0.35  0.78  0.35  1.0
  Re  Re3  1  0.35  0.22  0.35  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.69  0.0  0.0  1.0

data_Re2AgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   117.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AgAu
_chemical_formula_sum   'Re2 Ag1 Au1'
_cell_volume   64.66
_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
  Re  Re0  1  0.35  0.35  0.22  1.0
  Re  Re1  1  0.35  0.35  0.78  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.69  0.0  1.0

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