data_[Re8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [9.9713]
_cell_length_b [9.9713]
_cell_length_c [2.7686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [ReAu]
_chemical_formula_sum '[Re8 Au8]'
_cell_volume [275.2719]
_cell_formula_units_Z [8]
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  4  0.0913  0.4203  0.5000  1
  Re  Re1  4  0.3232  0.4637  0.0000  1
  Au  Au2  4  0.0417  0.1907  0.0000  1
  Au  Au3  4  0.1991  0.6834  0.5000  1
]