data_ReNi6Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi6Au
_chemical_formula_sum   'Re4 Ni24 Au4'
_cell_volume   389.99
_cell_formula_units_Z   4
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  Re28  1  0.66  0.58  0.0  1.0
  Re  Re29  1  0.66  0.42  0.0  1.0
  Re  Re30  1  0.0  0.0  0.65  1.0
  Re  Re31  1  0.0  0.0  0.7  1.0
  Ni  Ni4  1  0.66  0.63  0.49  1.0
  Ni  Ni5  1  0.55  0.74  0.82  1.0
  Ni  Ni6  1  0.76  0.26  0.82  1.0
  Ni  Ni7  1  0.66  0.37  0.49  1.0
  Ni  Ni8  1  0.76  0.74  0.82  1.0
  Ni  Ni9  1  0.55  0.26  0.82  1.0
  Ni  Ni10  1  0.66  0.0  0.0  1.0
  Ni  Ni11  1  0.78  0.31  0.24  1.0
  Ni  Ni12  1  0.78  0.69  0.24  1.0
  Ni  Ni13  1  0.66  0.63  0.86  1.0
  Ni  Ni14  1  0.54  0.69  0.11  1.0
  Ni  Ni15  1  0.78  0.31  0.11  1.0
  Ni  Ni16  1  0.66  0.37  0.86  1.0
  Ni  Ni17  1  0.78  0.69  0.11  1.0
  Ni  Ni18  1  0.54  0.31  0.11  1.0
  Ni  Ni19  1  0.66  0.0  0.17  1.0
  Ni  Ni20  1  0.76  0.26  0.53  1.0
  Ni  Ni21  1  0.76  0.74  0.53  1.0
  Ni  Ni22  1  0.0  0.0  0.0  1.0
  Ni  Ni23  1  0.54  0.31  0.24  1.0
  Ni  Ni24  1  0.54  0.69  0.24  1.0
  Ni  Ni25  1  0.0  0.0  0.17  1.0
  Ni  Ni26  1  0.55  0.26  0.53  1.0
  Ni  Ni27  1  0.55  0.74  0.53  1.0
  Au  Au0  1  0.66  0.52  0.17  1.0
  Au  Au1  1  0.66  0.48  0.17  1.0
  Au  Au2  1  0.66  0.0  0.58  1.0
  Au  Au3  1  0.66  0.0  0.77  1.0

data_ReNi6Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi6Au
_chemical_formula_sum   'Re4 Ni24 Au4'
_cell_volume   389.99
_cell_formula_units_Z   4
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  0.65  1.0
  Re  Re1  1  0.0  0.0  0.7  1.0
  Re  Re2  1  0.66  0.42  0.0  1.0
  Re  Re3  1  0.66  0.58  0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.17  1.0
  Ni  Ni6  1  0.54  0.31  0.11  1.0
  Ni  Ni7  1  0.54  0.31  0.24  1.0
  Ni  Ni8  1  0.54  0.69  0.11  1.0
  Ni  Ni9  1  0.54  0.69  0.24  1.0
  Ni  Ni10  1  0.55  0.26  0.53  1.0
  Ni  Ni11  1  0.55  0.26  0.82  1.0
  Ni  Ni12  1  0.55  0.74  0.53  1.0
  Ni  Ni13  1  0.55  0.74  0.82  1.0
  Ni  Ni14  1  0.66  0.0  0.0  1.0
  Ni  Ni15  1  0.66  0.0  0.17  1.0
  Ni  Ni16  1  0.66  0.37  0.49  1.0
  Ni  Ni17  1  0.66  0.37  0.86  1.0
  Ni  Ni18  1  0.66  0.63  0.49  1.0
  Ni  Ni19  1  0.66  0.63  0.86  1.0
  Ni  Ni20  1  0.76  0.26  0.53  1.0
  Ni  Ni21  1  0.76  0.26  0.82  1.0
  Ni  Ni22  1  0.76  0.74  0.53  1.0
  Ni  Ni23  1  0.76  0.74  0.82  1.0
  Ni  Ni24  1  0.78  0.31  0.11  1.0
  Ni  Ni25  1  0.78  0.31  0.24  1.0
  Ni  Ni26  1  0.78  0.69  0.11  1.0
  Ni  Ni27  1  0.78  0.69  0.24  1.0
  Au  Au28  1  0.66  0.0  0.58  1.0
  Au  Au29  1  0.66  0.0  0.77  1.0
  Au  Au30  1  0.66  0.48  0.17  1.0
  Au  Au31  1  0.66  0.52  0.17  1.0

Re Re Re Re Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Au Au Au Au