data_ReRuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.39
_cell_length_c   2.73
_cell_angle_alpha   84.24
_cell_angle_beta   74.85
_cell_angle_gamma   20.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRuAu
_chemical_formula_sum   'Re1 Ru1 Au1'
_cell_volume   48.13
_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  Re1  1  0.42  0.33  0.82  1.0
  Ru  Ru2  1  0.42  0.33  0.69  1.0
  Au  Au0  1  0.42  0.33  0.49  1.0

data_ReRuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.85
_cell_length_b   14.5
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   121.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReRuAu
_chemical_formula_sum   'Re2 Ru2 Au2'
_cell_volume   96.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.0  0.76  1.0
  Ru  Ru1  2  0.33  0.0  0.89  1.0
  Au  Au2  2  0.33  0.0  0.08  1.0

Re Ru Au