data_ReSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75
_cell_length_b   10.75
_cell_length_c   10.75
_cell_angle_alpha   16.33
_cell_angle_beta   16.33
_cell_angle_gamma   16.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSn2Au
_chemical_formula_sum   'Re1 Sn2 Au1'
_cell_volume   85.58
_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  0.0  0.0  0.01  1.0
  Sn  Sn2  1  0.0  0.0  0.52  1.0
  Sn  Sn3  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.0  0.0  0.63  1.0

data_ReSn2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   10.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSn2Au
_chemical_formula_sum   'Re2 Sn4 Au2'
_cell_volume   171.17
_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  0.99  1.0
  Sn  Sn1  2  0.0  0.0  0.45  1.0
  Sn  Sn2  2  0.0  0.0  0.48  1.0
  Au  Au3  2  0.0  0.0  0.37  1.0

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