data_Re2Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.03
_cell_length_b   11.03
_cell_length_c   11.03
_cell_angle_alpha   15.14
_cell_angle_beta   15.14
_cell_angle_gamma   15.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Au3
_chemical_formula_sum   'Re2 Au3'
_cell_volume   79.77
_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  Re3  1  0.0  0.0  0.08  1.0
  Re  Re4  1  0.0  0.0  0.63  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.58  1.0
  Au  Au2  1  0.0  0.0  0.13  1.0

data_Re2Au3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.91
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   98.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2Au3
_chemical_formula_sum   'Re4 Au6'
_cell_volume   159.53
_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  0.0  0.0  0.37  1.0
  Re  Re1  2  0.0  0.0  0.92  1.0
  Au  Au2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.42  1.0
  Au  Au4  2  0.0  0.0  0.87  1.0

Re Re Au Au Au
Re Re Au Au Au 0 4 o o o 0 2 o o o 1 3 o o o 