data_ReWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReWAu2
_chemical_formula_sum   'Re1 W1 Au2'
_cell_volume   66.74
_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  0.0  0.0  0.75  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.62  0.0  0.37  1.0
  Au  Au1  1  0.62  0.0  0.12  1.0

data_ReWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReWAu2
_chemical_formula_sum   'Re1 W1 Au2'
_cell_volume   66.74
_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  0.0  0.0  0.75  1.0
  W  W1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.62  0.0  0.12  1.0
  Au  Au3  1  0.62  0.0  0.37  1.0

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